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2948-20-1 | Acetic acid, 2-chloro-, 2,3,4,5,6-pentachlorophenyl ester
CAS No: 2948-20-1 Catalog No: AG002YIR MDL No:
Product Description
Catalog Number:
AG002YIR
Chemical Name:
Acetic acid, 2-chloro-, 2,3,4,5,6-pentachlorophenyl ester
CAS Number:
2948-20-1
Molecular Formula:
C8H2Cl6O2
Molecular Weight:
342.8183
IUPAC Name:
(2,3,4,5,6-pentachlorophenyl) 2-chloroacetate
InChI:
InChI=1S/C8H2Cl6O2/c9-1-2(15)16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2
InChI Key:
OCCPWFCBTICIIN-UHFFFAOYSA-N
SMILES:
ClCC(=O)Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
NSC Number:
8273
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.816g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.802g/mol
Monoisotopic Mass:
339.819g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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