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100865-38-1 | Benzoic acid, 2-(benzoylamino)-5-chloro-, methyl ester
CAS No: 100865-38-1 Catalog No: AG00031X MDL No:
Product Description
Catalog Number:
AG00031X
Chemical Name:
Benzoic acid, 2-(benzoylamino)-5-chloro-, methyl ester
CAS Number:
100865-38-1
Molecular Formula:
C15H12ClNO3
Molecular Weight:
289.7137
IUPAC Name:
methyl 2-benzamido-5-chlorobenzoate
InChI:
InChI=1S/C15H12ClNO3/c1-20-15(19)12-9-11(16)7-8-13(12)17-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18)
InChI Key:
ZOEOXNWLWRYJOS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1NC(=O)c1ccccc1
EC Number:
600-137-1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.715g/mol
Monoisotopic Mass:
289.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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