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143722-75-2 | Benzoic acid, 4-[(4-aminobenzoyl)methylamino]-, methyl ester
CAS No: 143722-75-2 Catalog No: AG001IA7 MDL No:
Product Description
Catalog Number:
AG001IA7
Chemical Name:
Benzoic acid, 4-[(4-aminobenzoyl)methylamino]-, methyl ester
CAS Number:
143722-75-2
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
methyl 4-[[2-(4-aminophenyl)-2-oxoethyl]amino]benzoate
InChI:
InChI=1S/C16H16N2O3/c1-21-16(20)12-4-8-14(9-5-12)18-10-15(19)11-2-6-13(17)7-3-11/h2-9,18H,10,17H2,1H3
InChI Key:
KLKDRUXHBIZXQF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)NCC(=O)c1ccc(cc1)N
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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