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141523-51-5 | Benzoic acid, 4-chloro-2-[(3,5-dimethylphenyl)amino]-
CAS No: 141523-51-5 Catalog No: AG001GK9 MDL No:
Product Description
Catalog Number:
AG001GK9
Chemical Name:
Benzoic acid, 4-chloro-2-[(3,5-dimethylphenyl)amino]-
CAS Number:
141523-51-5
Molecular Formula:
C15H14ClNO2
Molecular Weight:
275.7302
IUPAC Name:
4-chloro-2-(3,5-dimethylanilino)benzoic acid
InChI:
InChI=1S/C15H14ClNO2/c1-9-5-10(2)7-12(6-9)17-14-8-11(16)3-4-13(14)15(18)19/h3-8,17H,1-2H3,(H,18,19)
InChI Key:
MTIPLXDGFDCVBQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Nc1cc(C)cc(c1)C)C(=O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.071g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.732g/mol
Monoisotopic Mass:
275.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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