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188741-40-4 | Ethanedioic acid, 1,2-bis(2,6-dichlorophenyl) ester
CAS No: 188741-40-4 Catalog No: AG002H8K MDL No:
Product Description
Catalog Number:
AG002H8K
Chemical Name:
Ethanedioic acid, 1,2-bis(2,6-dichlorophenyl) ester
CAS Number:
188741-40-4
Molecular Formula:
C14H6Cl4O4
Molecular Weight:
380.0070
IUPAC Name:
bis(2,6-dichlorophenyl) oxalate
InChI:
InChI=1S/C14H6Cl4O4/c15-7-3-1-4-8(16)11(7)21-13(19)14(20)22-12-9(17)5-2-6-10(12)18/h1-6H
InChI Key:
AXPKYFFUKPIDAG-UHFFFAOYSA-N
SMILES:
O=C(C(=O)Oc1c(Cl)cccc1Cl)Oc1c(Cl)cccc1Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.899g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.998g/mol
Monoisotopic Mass:
377.902g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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