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114679-01-5 | Ethanone, 2-(benzoyloxy)-2-(4-chlorophenyl)-1-phenyl-
CAS No: 114679-01-5 Catalog No: AG000F0R MDL No:
Product Description
Catalog Number:
AG000F0R
Chemical Name:
Ethanone, 2-(benzoyloxy)-2-(4-chlorophenyl)-1-phenyl-
CAS Number:
114679-01-5
Molecular Formula:
C21H15ClO3
Molecular Weight:
350.7950
IUPAC Name:
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] benzoate
InChI:
InChI=1S/C21H15ClO3/c22-18-13-11-16(12-14-18)20(19(23)15-7-3-1-4-8-15)25-21(24)17-9-5-2-6-10-17/h1-14,20H
InChI Key:
PDSOTZZWMVTHLQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(C(=O)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.071g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.798g/mol
Monoisotopic Mass:
350.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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