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100874-12-2 | Benzoic acid, 2-[(4-bromobenzoyl)amino]-
CAS No: 100874-12-2 Catalog No: AG00032C MDL No:
Product Description
Catalog Number:
AG00032C
Chemical Name:
Benzoic acid, 2-[(4-bromobenzoyl)amino]-
CAS Number:
100874-12-2
Molecular Formula:
C14H10BrNO3
Molecular Weight:
320.1381
IUPAC Name:
2-[(4-bromobenzoyl)amino]benzoic acid
InChI:
InChI=1S/C14H10BrNO3/c15-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChI Key:
HXYGUIBNBZJOOW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)Nc1ccccc1C(=O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.984g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.142g/mol
Monoisotopic Mass:
318.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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