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116038-58-5 | 1,4-Benzenedicarboxylic acid, 1,4-bis[3-(chlorocarbonyl)phenyl] ester
CAS No: 116038-58-5 Catalog No: AG000BFZ MDL No:
Product Description
Catalog Number:
AG000BFZ
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-bis[3-(chlorocarbonyl)phenyl] ester
CAS Number:
116038-58-5
Molecular Formula:
C22H12Cl2O6
Molecular Weight:
443.2331
IUPAC Name:
bis(3-carbonochloridoylphenyl) benzene-1,4-dicarboxylate
InChI:
InChI=1S/C22H12Cl2O6/c23-19(25)15-3-1-5-17(11-15)29-21(27)13-7-9-14(10-8-13)22(28)30-18-6-2-4-16(12-18)20(24)26/h1-12H
InChI Key:
UANHBWVCKUUOKX-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)Oc1cccc(c1)C(=O)Cl)Oc1cccc(c1)C(=O)Cl
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.001g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.232g/mol
Monoisotopic Mass:
442.001g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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