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143773-35-7 | Pentanoic acid, 5-chloro-5-oxo-, 2,2,2-trichloroethyl ester
CAS No: 143773-35-7 Catalog No: AG001ICR MDL No:
Product Description
Catalog Number:
AG001ICR
Chemical Name:
Pentanoic acid, 5-chloro-5-oxo-, 2,2,2-trichloroethyl ester
CAS Number:
143773-35-7
Molecular Formula:
C7H8Cl4O3
Molecular Weight:
281.9486
IUPAC Name:
2,2,2-trichloroethyl 5-chloro-5-oxopentanoate
InChI:
InChI=1S/C7H8Cl4O3/c8-5(12)2-1-3-6(13)14-4-7(9,10)11/h1-4H2
InChI Key:
PMRVCMKSEWPFQH-UHFFFAOYSA-N
SMILES:
ClC(=O)CCCC(=O)OCC(Cl)(Cl)Cl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.92g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.938g/mol
Monoisotopic Mass:
279.923g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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