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90-16-4,MFCD00052387
Catalog No.:AA003IEQ
90-16-4 | 1,2,3-Benzotriazin-4(3H)-one
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$22.00   $15.00
- +
5g
98%
in stock  
$29.00   $20.00
- +
25g
98%
in stock  
$93.00   $65.00
- +
100g
98%
in stock  
$279.00   $195.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IEQ
Chemical Name:
1,2,3-Benzotriazin-4(3H)-one
CAS Number:
90-16-4
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
MDL Number:
MFCD00052387
IUPAC Name:
3H-1,2,3-benzotriazin-4-one
InChI:
InChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)
InChI Key:
DMSSTTLDFWKBSX-UHFFFAOYSA-N
SMILES:
O=c1[nH]nnc2c1cccc2
EC Number:
201-971-5
UNII:
FIE1VTY749
Properties
Computed Properties
 
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
1,2,3-benzotriazin-4(1H)-one 
1,2,3-benzotriazin-4(3H)-one 
1,2,3-Benzotriazin-4-ol 
3,4,5-triazabicyclo[4.4.0]deca-3,6,8,10-tetraen-2-one 
InChI=1/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11 
InChI=1/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11) 
C7H5N3O 
CID7006 
1,2,3-benzotriazin-4(1H)-on 
C7-H5-N3-O 
KST-1B9466 
AR-1B5237 
96304-55-1 
Benzoketotriazine 
Benzo[d][1,2,3]triazin-4(3H)-one 
USAF MA-2 
3H-1,2,3-Benzotriazin-4-one 
4-Ketobenz-1,2,3-triazine 
benzotriazinone 
3,4-Dihydro-4-oxo-1,2,3-benzotriazine 
UNII-FIE1VTY749 
4-Ketobenztriazine 
1,2,3-benzotriazin-4-one 
NSC 13563 
1,2,3-Benzotriazin-4-one 
3,4-Dihydro-1,2,3-benzotriazin-4-one 
HSDB 5270 
1,2,3-benzotriazin-4(3H)one 
1H-1,2,3-benzotriazin-4-one 
1,2,3-Benzotriazine-4(3H)-one 
EINECS 201-971-5 
4-Keto-(3H)-1,2,3-benzotriazine 
FIE1VTY749 
4-ketobenzotriazine 
AI3-28017 
DMSSTTLDFWKBSX-UHFFFAOYSA-N 
NSC20121 
4-Ketobenzo-1,2,3(3H)-triazine 
MFCD00052387 
1,3-Benzotriazin-4-ol 
DSSTox_CID_6544 
4-Ketobenz-1,3-triazine 
DSSTox_RID_78144 
DSSTox_GSID_26544 
90-16-4 
1,3-Benzotriazin-4(1H)-one 
1,3-Benzotriazin-4(3H)-one 
CAS-90-16-4 
1,2,3-BENZOTRIAZIN-4-(1H)-ONE 
PubChem14541 
AC1L1NSJ 
AC1Q6H0N 
AC1Q6IF5 
1,2,3-Benzotriazin-4-on 
SCHEMBL169926 
1,2,3-Benzotriazin-4(3H)-one 
ACMC-209r53 
benzo-1,2,3-triazin-4-one 
ARONIS022202 
CHEMBL3186681 
DTXSID5026544 
CTK3I7023 
DMSSTTLDFWKBSX-UHFFFAOYSA- 
KS-00004DI6 
NSC13563 
STR03758 
1,2,3-Benzotriazin-4(1H)-one 
ZINC8613136 
1,2.3-benzotriazin-4-(3h)-one 
Tox21_201876 
Tox21_303160 
1H-benzo[e]1,2,3-triazin-4-one 
2671AF 
3H-benzo[d]1,2,3-triazin-4-one 
ANW-39445 
BBL022669 
KM2902 
Benzazimidone 
NSC-13563 
NSC-20121 
SBB078073 
STK088696 
STK648031 
STL146421 
AKOS000489101 
AKOS001042374 
AKOS005578809 
3H-Benzo[d][1,2,3]triazin-4-one 
Benzazimide 
LS41926 
MCULE-4388191735 
KS-0000157B 
NCGC00249129-01 
NCGC00256991-01 
NCGC00259425-01 
1,2,3-BENZOTRIAZIN-4(3H)ONE, 
LS-41515 
1,2,3-Benzotriazin-4(3H)-one (8CI) 
1,2,3-Benzotriazin-4(3H)-one, 98% 
4-Ketobenzotriazine 
CS-0084775 
FT-0606216 
K0003 
ST45035848 
EN300-06440 
8M-907 
B66087 
A843459 
AB-323/25048510 
I01-15959 
Literature

Title: Synthesis and pharmacological investigation of azaphthalazinone human histamine H(1) receptor antagonists.

Journal: Bioorganic & medicinal chemistry 20121015

Title: Study of energetics and structure of 1,2,3-benzotriazin-4(3H)-one and its 1H and enol tautomers.

Journal: The journal of physical chemistry. B 20110526

Title: Analogues of 4-[(7-Bromo-2-methyl-4-oxo-3H-quinazolin-6-yl)methylprop-2-ynylamino]-N-(3-pyridylmethyl)benzamide (CB-30865) as potent inhibitors of nicotinamide phosphoribosyltransferase (Nampt).

Journal: Journal of medicinal chemistry 20101223

Title: Photodegradation of organophosphorus insecticides - investigations of products and their toxicity using gas chromatography-mass spectrometry and AChE-thermal lens spectrometric bioassay.

Journal: Chemosphere 20070201

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