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4797-43-7 | 6-Chloro-4-phenyl-2(1H)-quinazolinone
CAS No: 4797-43-7 Catalog No: AG003AKP MDL No:MFCD00563518
Product Description
Catalog Number:
AG003AKP
Chemical Name:
6-Chloro-4-phenyl-2(1H)-quinazolinone
CAS Number:
4797-43-7
Molecular Formula:
C14H9ClN2O
Molecular Weight:
256.6871
MDL Number:
MFCD00563518
IUPAC Name:
6-chloro-4-phenyl-1H-quinazolin-2-one
InChI:
InChI=1S/C14H9ClN2O/c15-10-6-7-12-11(8-10)13(17-14(18)16-12)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChI Key:
DBKIXSRJBMRMMF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(nc(=O)[nH]2)c1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.689g/mol
Monoisotopic Mass:
256.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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