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29177-68-2 | Propanoic acid, 3-[(2-benzoyl-4-chlorophenyl)amino]-3-oxo-, ethyl ester
CAS No: 29177-68-2 Catalog No: AG002XLM MDL No:
Product Description
Catalog Number:
AG002XLM
Chemical Name:
Propanoic acid, 3-[(2-benzoyl-4-chlorophenyl)amino]-3-oxo-, ethyl ester
CAS Number:
29177-68-2
Molecular Formula:
C18H16ClNO4
Molecular Weight:
345.7769
IUPAC Name:
ethyl 3-(2-benzoyl-4-chloroanilino)-3-oxopropanoate
InChI:
InChI=1S/C18H16ClNO4/c1-2-24-17(22)11-16(21)20-15-9-8-13(19)10-14(15)18(23)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,20,21)
InChI Key:
NTLAOZCBVXZKIS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)Nc1ccc(cc1C(=O)c1ccccc1)Cl
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.077g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.779g/mol
Monoisotopic Mass:
345.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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