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1173-75-7 | Ethanedioic acid, 1,2-bis(2,3,4,5,6-pentachlorophenyl) ester
CAS No: 1173-75-7 Catalog No: AG000E33 MDL No:
Product Description
Catalog Number:
AG000E33
Chemical Name:
Ethanedioic acid, 1,2-bis(2,3,4,5,6-pentachlorophenyl) ester
CAS Number:
1173-75-7
Molecular Formula:
C14Cl10O4
Molecular Weight:
586.6774
IUPAC Name:
bis(2,3,4,5,6-pentachlorophenyl) oxalate
InChI:
InChI=1S/C14Cl10O4/c15-1-3(17)7(21)11(8(22)4(1)18)27-13(25)14(26)28-12-9(23)5(19)2(16)6(20)10(12)24
InChI Key:
OXTSSJOQCJZYLA-UHFFFAOYSA-N
SMILES:
O=C(C(=O)Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
585.662g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
586.65g/mol
Monoisotopic Mass:
581.668g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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