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13278-38-1 | Benzoic acid, 2-[(4-bromophenyl)amino]-
CAS No: 13278-38-1 Catalog No: AG001160 MDL No:
Product Description
Catalog Number:
AG001160
Chemical Name:
Benzoic acid, 2-[(4-bromophenyl)amino]-
CAS Number:
13278-38-1
Molecular Formula:
C13H10BrNO2
Molecular Weight:
292.1280
IUPAC Name:
2-(4-bromoanilino)benzoic acid
InChI:
InChI=1S/C13H10BrNO2/c14-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)
InChI Key:
OWWOJXUVGYXFIJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Nc1ccccc1C(=O)O
NSC Number:
158698
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.989g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.132g/mol
Monoisotopic Mass:
290.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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