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76020-52-5 | Octanedioic acid, bis[4-(chlorocarbonyl)phenyl] ester
CAS No: 76020-52-5 Catalog No: AG0058FC MDL No:
Product Description
Catalog Number:
AG0058FC
Chemical Name:
Octanedioic acid, bis[4-(chlorocarbonyl)phenyl] ester
CAS Number:
76020-52-5
Molecular Formula:
C22H20Cl2O6
Molecular Weight:
451.2966
IUPAC Name:
bis(4-carbonochloridoylphenyl) octanedioate
InChI:
InChI=1S/C22H20Cl2O6/c23-21(27)15-7-11-17(12-8-15)29-19(25)5-3-1-2-4-6-20(26)30-18-13-9-16(10-14-18)22(24)28/h7-14H,1-6H2
InChI Key:
JALORVPVDVMTOX-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)C(=O)Cl)CCCCCCC(=O)Oc1ccc(cc1)C(=O)Cl
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.064g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
451.296g/mol
Monoisotopic Mass:
450.064g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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