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872088-13-6 | Benzoic acid,4-(5-chloro-2-methoxybenzoyl)-, ethyl ester
CAS No: 872088-13-6 Catalog No: AG004JEI MDL No:
Product Description
Catalog Number:
AG004JEI
Chemical Name:
Benzoic acid,4-(5-chloro-2-methoxybenzoyl)-, ethyl ester
CAS Number:
872088-13-6
Molecular Formula:
C17H15ClO4
Molecular Weight:
318.7516
IUPAC Name:
ethyl 4-(5-chloro-2-methoxybenzoyl)benzoate
InChI:
InChI=1S/C17H15ClO4/c1-3-22-17(20)12-6-4-11(5-7-12)16(19)14-10-13(18)8-9-15(14)21-2/h4-10H,3H2,1-2H3
InChI Key:
GRWUUSDAJLUCFG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(=O)c1cc(Cl)ccc1OC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.753g/mol
Monoisotopic Mass:
318.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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