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113695-38-8 | Benzoic acid, 2-[(4-chlorobenzoyl)oxy]-, 4-methylphenyl ester
CAS No: 113695-38-8 Catalog No: AG0009CA MDL No:
Product Description
Catalog Number:
AG0009CA
Chemical Name:
Benzoic acid, 2-[(4-chlorobenzoyl)oxy]-, 4-methylphenyl ester
CAS Number:
113695-38-8
Molecular Formula:
C21H15ClO4
Molecular Weight:
366.7944
IUPAC Name:
(4-methylphenyl) 2-(4-chlorobenzoyl)oxybenzoate
InChI:
InChI=1S/C21H15ClO4/c1-14-6-12-17(13-7-14)25-21(24)18-4-2-3-5-19(18)26-20(23)15-8-10-16(22)11-9-15/h2-13H,1H3
InChI Key:
NRPZSPKZRMUCMQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OC(=O)c1ccccc1OC(=O)c1ccc(cc1)Cl
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.066g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.797g/mol
Monoisotopic Mass:
366.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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