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Home Other Building Blocks 4H-3,1-Benzoxazin-4-one, 2-phenyl-

4H-3,1-Benzoxazin-4-one, 2-phenyl-

CAS No.:
1022-46-4
Catalog Number:
AG0006W3
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
>98.0%(GC)
1 week
United States
$394
- +
Product Description
Catalog Number:
AG0006W3
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
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  
Literature
Title Journal
Synthesis, Structure Activity Relationship Studies and Pharmacological Evaluation of 2-Phenyl-3-(Substituted Phenyl)-3H-Quinazolin-4-ones as Serotonin 5-HT(2) Antagonists. Indian journal of pharmaceutical sciences 20090101
2-Phenyl-4H-3,1-benzoxazin-4-one. Acta crystallographica. Section E, Structure reports online 20090101
Properties