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13144-34-8 | Benzeneacetic acid, 4-chloro-α-(4-chlorophenyl)-, bis(4-chlorophenyl)methyl ester
CAS No: 13144-34-8 Catalog No: AG000W6T MDL No:
Product Description
Catalog Number:
AG000W6T
Chemical Name:
Benzeneacetic acid, 4-chloro-α-(4-chlorophenyl)-, bis(4-chlorophenyl)methyl ester
CAS Number:
13144-34-8
Molecular Formula:
C27H18Cl4O2
Molecular Weight:
516.2426
IUPAC Name:
bis(4-chlorophenyl)methyl 2,2-bis(4-chlorophenyl)acetate
InChI:
InChI=1S/C27H18Cl4O2/c28-21-9-1-17(2-10-21)25(18-3-11-22(29)12-4-18)27(32)33-26(19-5-13-23(30)14-6-19)20-7-15-24(31)16-8-20/h1-16,25-26H
InChI Key:
GWKYQKIWFVRWRP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1ccc(cc1)Cl)OC(=O)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl
NSC Number:
406119
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.003g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.239g/mol
Monoisotopic Mass:
514.006g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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