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101293-08-7 | Benzoic acid, 4-[(4-methylphenyl)amino]-, ethyl ester
CAS No: 101293-08-7 Catalog No: AG00045O MDL No:
Product Description
Catalog Number:
AG00045O
Chemical Name:
Benzoic acid, 4-[(4-methylphenyl)amino]-, ethyl ester
CAS Number:
101293-08-7
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
ethyl 4-(4-methylanilino)benzoate
InChI:
InChI=1S/C16H17NO2/c1-3-19-16(18)13-6-10-15(11-7-13)17-14-8-4-12(2)5-9-14/h4-11,17H,3H2,1-2H3
InChI Key:
MXXKXHSPFUHMKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)Nc1ccc(cc1)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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