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19829-42-6 | Ethanedioic acid, 1,2-bis[(4-chlorophenyl)methyl] ester
CAS No: 19829-42-6 Catalog No: AG002BF3 MDL No:
Product Description
Catalog Number:
AG002BF3
Chemical Name:
Ethanedioic acid, 1,2-bis[(4-chlorophenyl)methyl] ester
CAS Number:
19829-42-6
Molecular Formula:
C16H12Cl2O4
Molecular Weight:
339.1701
IUPAC Name:
bis[(4-chlorophenyl)methyl] oxalate
InChI:
InChI=1S/C16H12Cl2O4/c17-13-5-1-11(2-6-13)9-21-15(19)16(20)22-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChI Key:
QWHCTYYBLDCYIT-UHFFFAOYSA-N
SMILES:
O=C(C(=O)OCc1ccc(cc1)Cl)OCc1ccc(cc1)Cl
EC Number:
419-860-7
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.011g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.168g/mol
Monoisotopic Mass:
338.011g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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