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16066-72-1 | Hexanoic acid, 2,2,6-trichloro-, methyl ester
CAS No: 16066-72-1 Catalog No: AG001S3N MDL No:
Product Description
Catalog Number:
AG001S3N
Chemical Name:
Hexanoic acid, 2,2,6-trichloro-, methyl ester
CAS Number:
16066-72-1
Molecular Formula:
C7H11Cl3O2
Molecular Weight:
233.5200
IUPAC Name:
methyl 2,2,6-trichlorohexanoate
InChI:
InChI=1S/C7H11Cl3O2/c1-12-6(11)7(9,10)4-2-3-5-8/h2-5H2,1H3
InChI Key:
QHFCXYJGLXPJHE-UHFFFAOYSA-N
SMILES:
ClCCCCC(C(=O)OC)(Cl)Cl
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.513g/mol
Monoisotopic Mass:
231.982g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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