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77605-73-3 | Benzoic acid,2-[(3-chloro-4-hydroxy-2-methylphenyl)amino]-
CAS No: 77605-73-3 Catalog No: AG005GP6 MDL No:
Product Description
Catalog Number:
AG005GP6
Chemical Name:
Benzoic acid,2-[(3-chloro-4-hydroxy-2-methylphenyl)amino]-
CAS Number:
77605-73-3
Molecular Formula:
C14H12ClNO3
Molecular Weight:
277.7030
IUPAC Name:
2-(3-chloro-4-hydroxy-2-methylanilino)benzoic acid
InChI:
InChI=1S/C14H12ClNO3/c1-8-10(6-7-12(17)13(8)15)16-11-5-3-2-4-9(11)14(18)19/h2-7,16-17H,1H3,(H,18,19)
InChI Key:
VRNDVGVAHVCCCU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Nc1ccc(c(c1C)Cl)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.704g/mol
Monoisotopic Mass:
277.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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