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88733-62-4 | Benzoic acid, 2-[3-(4-chlorophenyl)-1-oxopropyl]-, methyl ester
CAS No: 88733-62-4 Catalog No: AG00468E MDL No:
Product Description
Catalog Number:
AG00468E
Chemical Name:
Benzoic acid, 2-[3-(4-chlorophenyl)-1-oxopropyl]-, methyl ester
CAS Number:
88733-62-4
Molecular Formula:
C17H15ClO3
Molecular Weight:
302.7522
IUPAC Name:
methyl 2-[3-(4-chlorophenyl)propanoyl]benzoate
InChI:
InChI=1S/C17H15ClO3/c1-21-17(20)15-5-3-2-4-14(15)16(19)11-8-12-6-9-13(18)10-7-12/h2-7,9-10H,8,11H2,1H3
InChI Key:
NZKQKTASHDKYQA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C(=O)CCc1ccc(cc1)Cl
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.754g/mol
Monoisotopic Mass:
302.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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