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15967-85-8 | Hexanoic acid, 2,2,6-trichloro-, ethyl ester
CAS No: 15967-85-8 Catalog No: AG001RAY MDL No:
Product Description
Catalog Number:
AG001RAY
Chemical Name:
Hexanoic acid, 2,2,6-trichloro-, ethyl ester
CAS Number:
15967-85-8
Molecular Formula:
C8H13Cl3O2
Molecular Weight:
247.5466
IUPAC Name:
ethyl 2,2,6-trichlorohexanoate
InChI:
InChI=1S/C8H13Cl3O2/c1-2-13-7(12)8(10,11)5-3-4-6-9/h2-6H2,1H3
InChI Key:
FOLHYNDVUIGMAD-UHFFFAOYSA-N
SMILES:
ClCCCCC(C(=O)OCC)(Cl)Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.998g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.54g/mol
Monoisotopic Mass:
245.998g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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