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19014-14-3 | 1,4-Benzenedicarboxylic acid, 2,5-bis(chlorocarbonyl)-, 1,4-dimethyl ester
CAS No: 19014-14-3 Catalog No: AG002ECM MDL No:
Product Description
Catalog Number:
AG002ECM
Chemical Name:
1,4-Benzenedicarboxylic acid, 2,5-bis(chlorocarbonyl)-, 1,4-dimethyl ester
CAS Number:
19014-14-3
Molecular Formula:
C12H8Cl2O6
Molecular Weight:
319.0943
IUPAC Name:
dimethyl 2,5-dicarbonochloridoylbenzene-1,4-dicarboxylate
InChI:
InChI=1S/C12H8Cl2O6/c1-19-11(17)7-3-6(10(14)16)8(12(18)20-2)4-5(7)9(13)15/h3-4H,1-2H3
InChI Key:
TVWGIJDWKDJFDT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C(=O)Cl)c(cc1C(=O)Cl)C(=O)OC
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.97g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.09g/mol
Monoisotopic Mass:
317.97g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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