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1147-43-9 | Benzoic acid, 2-(2-aminobenzoyl)-
CAS No: 1147-43-9 Catalog No: AG000F2F MDL No:MFCD00007715
Product Description
Catalog Number:
AG000F2F
Chemical Name:
Benzoic acid, 2-(2-aminobenzoyl)-
CAS Number:
1147-43-9
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
MDL Number:
MFCD00007715
IUPAC Name:
2-(2-aminobenzoyl)benzoic acid
InChI:
InChI=1S/C14H11NO3/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8H,15H2,(H,17,18)
InChI Key:
KORKIRUGUNPQML-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(=O)c1ccccc1N
EC Number:
214-554-8
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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