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5466-88-6,MFCD00158536
Catalog No.:AA003HA1
5466-88-6 | 2H-1,4-Benzoxazin-3(4H)-one
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1g
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$11.00
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5g
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$14.00
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25g
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100g
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HA1
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one
CAS Number:
5466-88-6
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00158536
IUPAC Name:
4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
InChI Key:
QRCGFTXRXYMJOS-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cccc2
UNII:
Q0QAF5G662
NSC Number:
26354
Properties
Computed Properties
 
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
2H-1,4-Benzoxazin-3(4H)-one 
5466-88-6 
QRCGFTXRXYMJOS-UHFFFAOYSA-N 
ACN-043630 
A7934 
564-24-9 
2H-1,4-Benzoxazin-3(4H)-one (8CI)(9CI) 
2H,4H-benzo[e]1,4-oxazaperhydroin-3-one 
4H-1,4-benzoxazin-3-one 
benzoxazin-3-one 
NSC26354 
NSC 26354 
PubChem18791 
ACMC-1AOGJ 
1,4-benzoxazin-3-one 
2H-benzo[b][1,4]oxazin-3(4H)-one 
AC1L2ILT 
AC1Q1HM7 
AC1Q6EU4 
2H-1,4-benzoxazin-3-ol 
SCHEMBL88746 
KSC273A3J 
4H-[1,4]benzoxazin-3-one 
4H-benzo[1.4]oxazin-3-one 
2H-[1,4]-benzoxazin-3-one 
CTK1H3034 
2H-1,4-Benzoxazin-3-one 
DTXSID80203118 
2H-1,4 benzoxazine-3(4H)one 
2H-1,4-benzoxazin-3-(4H)one 
ACT03836 
ALBB-020505 
ZINC3883584 
(2H)1,4-benzoxazin-3(4H)-one 
2-H-1,4-benzoxazin-3-(4H)one 
2H-1,4-benzoxazin-3-(4H)-one 
2,3-dihydro-1,4-benzoxazin-3-one 
3-Oxo-4H-benzo[1,4]oxazine 
2H-1,4-Benzoxazin-3 (4H)-one 
ANW-32151 
BDBM50438258 
NSC-26354 
SBB016409 
STK317993 
STL301701 
3-Keto-4-aza-2,3-dihydrobenzopyran 
4H-BENZO[1,4]OXAZIN-3-ONE 
AKOS000121575 
3,4-dihydro-2H-1,4-benzoxazin-3-one 
AKOS016370878 
AB04166 
CB-2302 
CS-W002455 
LS40207 
MCULE-5830224230 
RP01616 
RTR-019325 
2H-1,4-BENZOXAZINE-3(4H)-ONE 
3-oxo-2,3-dihydro-4H-1,4-benzoxazine 
MFCD00158536 
AC-23158 
AJ-46803 
AK-46795 
BP-10112 
BR-46795 
CJ-11125 
EN000645 
SY007578 
2H-1,4-Benzoxazin-3(4H)-one, 99% 
3,4-Dihydro-3-oxo-1,4(2H)-benzoxazine 
UNII-Q0QAF5G662 
AB0008699 
AB1000994 
DB-014112 
ST2417190 
TR-019325 
AM20061203 
B4553 
FT-0658368 
ST45022695 
3,4-dihydro-2h-1,4-benzoxazin-3(4h)-one 
CHEMBL460153 
EN300-17697 
MFCD00158536 (98%) 
B50450 
M-3213 
185841-EP2278976A1 
1T-0333 
AE-473/30224032 
1,2,3,4-tetrahydroisoquinolin-5-aminehydrochloride 
I14-7973 
J-509550 
Q0QAF5G662 
Z56989567 
F0918-7105 
A0794/0037211 
InChI=1/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10 
null 
C8H7NO2 
C8-H7-N-O2 
CID72757 
AR-1E1915 
2H-1,4-BENZOXAZIN-3 -ONE 
Literature

Title: In silico characterization of three two-component systems of Ehrlichia canis and evaluation of a natural plant-derived inhibitor.

Journal: Genetics and molecular research : GMR 20121004

Title: Synthesis of 2H-benzo[b][1,4]oxazin-3(4H)-one derivatives as platelet aggregation inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20120101

Title: Synthesis and pharmacological evaluations of novel 2H-benzo[b][1,4]oxazin-3(4H)-one derivatives as a new class of anti-cancer agents.

Journal: European journal of medicinal chemistry 20111001

Title: Structure-activity relationship of benzoxazinones and related compounds with respect to the growth inhibition and alpha-amylase activity in cress seedlings.

Journal: Journal of plant physiology 20101015

Title: Fluconazole analogues containing 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moieties, a novel class of anti-Candida agents.

Journal: Bioorganic & medicinal chemistry letters 20100115

Title: Aromatic-ring-functionalised benzoxazinones in the system Oryza sativa-Echinochloa crus-galli as biorational herbicide models.

Journal: Pest management science 20091001

Title: Rediscovering the bioactivity and ecological role of 1,4-benzoxazinones.

Journal: Natural product reports 20090401

Title: Synthesis of novel 1,4-benzoxazin-3-one derivatives as inhibitors against tyrosine kinases.

Journal: Bioorganic & medicinal chemistry 20090115

Title: Synthesis of novel 7-benzylamino-2H-1,4-benzoxazin-3(4H)-ones as anticonvulsant agents.

Journal: European journal of medicinal chemistry 20080601

Title: Novel potent and selective thrombin inhibitors based on a central 1,4-benzoxazin-3(4H)-one scaffold.

Journal: Journal of medicinal chemistry 20080508

Title: Study on bioactive compounds from Streptomyces sp. ANU 6277.

Journal: Polish journal of microbiology 20080101

Title: Bad housekeeping: why do aphids leave their exuviae inside the colony?

Journal: BMC evolutionary biology 20080101

Title: Benzofused tricycles based on 2-quinoxalinol.

Journal: Journal of combinatorial chemistry 20070101

Title: Isolation and synthesis of allelochemicals from gramineae: benzoxazinones and related compounds.

Journal: Journal of agricultural and food chemistry 20060222

Title: Toward a novel class of antithrombotic compounds with dual function. Discovery of 1,4-benzoxazin-3(4H)-one derivatives possessing thrombin inhibitory and fibrinogen receptor antagonistic activities.

Journal: Journal of medicinal chemistry 20050505

Title: Design and synthesis of novel platelet fibrinogen receptor antagonists with 2H-1,4-benzoxazine-3(4H)-one scaffold. A systematic study.

Journal: European journal of medicinal chemistry 20050101

Title: Chemical basis for the antifeedant activity of natural hydroxamic acids and related compounds.

Journal: Journal of agricultural and food chemistry 20040505

Title: Utilisation of electrospray time-of-flight mass spectrometry for solving complex fragmentation patterns: application to benzoxazinone derivatives.

Journal: Journal of mass spectrometry : JMS 20031001

Title: Antitumor agents. Part 218: Cappamensin A, a new In vitro anticancer principle, from Capparis sikkimensis.

Journal: Bioorganic & medicinal chemistry letters 20030707

Title: Development of a liquid chromatography-electrospray-tandem mass spectrometry method for the quantitative determination of benzoxazinone derivatives in plants.

Journal: Analytical chemistry 20030701

Title: Effects of 1,4-benzoxazin-3-one derivatives from maize on survival and fecundity of Metopolophium dirhodum (Walker) on artificial diet.

Journal: Journal of chemical ecology 20010201

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