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15781-71-2 | Propanedioic acid, 2-methyl-, 1,3-bis(2,4,6-trichlorophenyl) ester
CAS No: 15781-71-2 Catalog No: AG001PQX MDL No:
Product Description
Catalog Number:
AG001PQX
Chemical Name:
Propanedioic acid, 2-methyl-, 1,3-bis(2,4,6-trichlorophenyl) ester
CAS Number:
15781-71-2
Molecular Formula:
C16H8Cl6O4
Molecular Weight:
476.9503
IUPAC Name:
bis(2,4,6-trichlorophenyl) 2-methylpropanedioate
InChI:
InChI=1S/C16H8Cl6O4/c1-6(15(23)25-13-9(19)2-7(17)3-10(13)20)16(24)26-14-11(21)4-8(18)5-12(14)22/h2-6H,1H3
InChI Key:
MFYQIVLDMHJIIH-UHFFFAOYSA-N
SMILES:
CC(C(=O)Oc1c(Cl)cc(cc1Cl)Cl)C(=O)Oc1c(Cl)cc(cc1Cl)Cl
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.852g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.936g/mol
Monoisotopic Mass:
473.855g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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