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15897-80-0 | Propanedioic acid, 2-(1-methylethyl)-, 1,3-bis(2,4,6-trichlorophenyl) ester
CAS No: 15897-80-0 Catalog No: AG001R2T MDL No:
Product Description
Catalog Number:
AG001R2T
Chemical Name:
Propanedioic acid, 2-(1-methylethyl)-, 1,3-bis(2,4,6-trichlorophenyl) ester
CAS Number:
15897-80-0
Molecular Formula:
C18H12Cl6O4
Molecular Weight:
505.0035
IUPAC Name:
bis(2,4,6-trichlorophenyl) 2-propan-2-ylpropanedioate
InChI:
InChI=1S/C18H12Cl6O4/c1-7(2)14(17(25)27-15-10(21)3-8(19)4-11(15)22)18(26)28-16-12(23)5-9(20)6-13(16)24/h3-7,14H,1-2H3
InChI Key:
FPWVXZZRPRFVAC-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)Oc1c(Cl)cc(cc1Cl)Cl)C(=O)Oc1c(Cl)cc(cc1Cl)Cl)C
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.884g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.99g/mol
Monoisotopic Mass:
501.887g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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