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13787-59-2 | 2(3H)-Benzoxazolone, 3-benzoyl-
CAS No: 13787-59-2 Catalog No: AG00140O MDL No:
Product Description
Catalog Number:
AG00140O
Chemical Name:
2(3H)-Benzoxazolone, 3-benzoyl-
CAS Number:
13787-59-2
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
IUPAC Name:
3-benzoyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C14H9NO3/c16-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)18-14(15)17/h1-9H
InChI Key:
KPUSLZMWKHIWAW-UHFFFAOYSA-N
SMILES:
O=c1oc2c(n1C(=O)c1ccccc1)cccc2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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