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1022-46-4,MFCD00043598
Catalog No.:AA0006TB
1022-46-4 | 4H-3,1-Benzoxazin-4-one, 2-phenyl-
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  • Technical Information
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Technical Information
Catalog Number:
AA0006TB
Chemical Name:
4H-3,1-Benzoxazin-4-one, 2-phenyl-
CAS Number:
1022-46-4
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
MDL Number:
MFCD00043598
IUPAC Name:
2-phenyl-3,1-benzoxazin-4-one
InChI:
InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
InChI Key:
HTTLBYITFHMYFK-UHFFFAOYSA-N
SMILES:
O=c1oc(nc2c1cccc2)c1ccccc1
UNII:
F6R7D8UJO5
NSC Number:
16082
Properties
Computed Properties
 
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
Bentranil 
1022-46-4 
NSC 16082 
UNII-F6R7D8UJO5 
F6R7D8UJO5 
CHEMBL24449 
HTTLBYITFHMYFK-UHFFFAOYSA-N 
2-phenylbenzo[d]1,3-oxazin-4-one 
3-Phenyl-1H-2,4-benzoxazin-1-one 
2-Phenyl-4-[4H]-3,1-benzoxazinone 
4H-3,1-Benzoxazin-4-one,2-phenyl- 
SR-01000389722 
2-Phenyl-4H-3,1-benzoxazin-4-one 
NSC16082 
AI3-61952 
4H-3, 2-phenyl- 
Maybridge1_006945 
ChemDiv2_003515 
Oprea1_579311 
CBDivE_001429 
SCHEMBL272702 
AC1L22S2 
WLN: T66 BVO ENJ DR 
Linarotox 
CTK4A0860 
HMS561D15 
ZINC94053 
DTXSID60144732 
3-Phenyl-2,4-benzoxazin-1-one 
HMS1378P17 
2-phenyl-[3,1]benzoxazin-4-one 
BBL007658 
BDBM50077011 
MFCD00043598 
Linurotox 
NSC-16082 
STK385092 
AKOS000313370 
JS-3012 
MCULE-3271507278 
KS-0000276L 
AN-48334 
BAS 04934212 
ST015578 
2-Phenyl-4H-benzo[d][1,3]oxazin-4-one 
2-Phenyl-3,1-benzoxazin-4-one 
EU-0066816 
FT-0622748 
T7270 
Bentranil, PESTANAL(R), analytical standard 
022B464 
C-49007 
J-000660 
SR-01000389722-1 
SR-01000389722-2 
I14-51986 
2-Phenyl-3,1-benzoxazinone-(4) 
A0654/0030383 
Benzoylanthranil 
'lgc' (1605) 
C14-H9-N-O2 
CID13926 
H-170 
4H-3,1-BENZOXAZIN-4-ONE, 2-PHENYL- 
2-Phenyl-benzo[d][1,3]oxazin-4-one 
Literature

Title: Synthesis, Structure Activity Relationship Studies and Pharmacological Evaluation of 2-Phenyl-3-(Substituted Phenyl)-3H-Quinazolin-4-ones as Serotonin 5-HT(2) Antagonists.

Journal: Indian journal of pharmaceutical sciences 20090101

Title: 2-Phenyl-4H-3,1-benzoxazin-4-one.

Journal: Acta crystallographica. Section E, Structure reports online 20090101

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