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82859-84-5 | Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-, butyl ester
CAS No: 82859-84-5 Catalog No: AG0055LJ MDL No:
Product Description
Catalog Number:
AG0055LJ
Chemical Name:
Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-, butyl ester
CAS Number:
82859-84-5
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
IUPAC Name:
butyl 2-(2,3-dimethylanilino)benzoate
InChI:
InChI=1S/C19H23NO2/c1-4-5-13-22-19(21)16-10-6-7-11-18(16)20-17-12-8-9-14(2)15(17)3/h6-12,20H,4-5,13H2,1-3H3
InChI Key:
LFPLREBVHWFLCP-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccccc1Nc1cccc(c1C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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