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20724-12-3 | Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-, 5-methyl-2-(1-methylethyl)phenyl ester
CAS No: 20724-12-3 Catalog No: AG002IXA MDL No:
Product Description
Catalog Number:
AG002IXA
Chemical Name:
Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-, 5-methyl-2-(1-methylethyl)phenyl ester
CAS Number:
20724-12-3
Molecular Formula:
C25H27NO2
Molecular Weight:
373.4874
IUPAC Name:
(5-methyl-2-propan-2-ylphenyl) 2-(2,3-dimethylanilino)benzoate
InChI:
InChI=1S/C25H27NO2/c1-16(2)20-14-13-17(3)15-24(20)28-25(27)21-10-6-7-11-23(21)26-22-12-8-9-18(4)19(22)5/h6-16,26H,1-5H3
InChI Key:
NDNGOGWAXNHSCK-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)OC(=O)c1ccccc1Nc1cccc(c1C)C)C(C)C
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.204g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.496g/mol
Monoisotopic Mass:
373.204g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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