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86282-86-2 | Benzoic acid, 2-[(2,4,6-trichloro-3-methylphenyl)amino]-
CAS No: 86282-86-2 Catalog No: AG004RKY MDL No:
Product Description
Catalog Number:
AG004RKY
Chemical Name:
Benzoic acid, 2-[(2,4,6-trichloro-3-methylphenyl)amino]-
CAS Number:
86282-86-2
Molecular Formula:
C14H10Cl3NO2
Molecular Weight:
330.5937
IUPAC Name:
2-(2,4,6-trichloro-3-methylanilino)benzoic acid
InChI:
InChI=1S/C14H10Cl3NO2/c1-7-9(15)6-10(16)13(12(7)17)18-11-5-3-2-4-8(11)14(19)20/h2-6,18H,1H3,(H,19,20)
InChI Key:
KQVCTUMYGBOANO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Nc1c(Cl)cc(c(c1Cl)C)Cl
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.978g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.589g/mol
Monoisotopic Mass:
328.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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