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13038-10-3 | Hexanoic acid, 4,6,6,6-tetrachloro-, ethyl ester
CAS No: 13038-10-3 Catalog No: AG000UCI MDL No:
Product Description
Catalog Number:
AG000UCI
Chemical Name:
Hexanoic acid, 4,6,6,6-tetrachloro-, ethyl ester
CAS Number:
13038-10-3
Molecular Formula:
C8H12Cl4O2
Molecular Weight:
281.9917
IUPAC Name:
ethyl 4,6,6,6-tetrachlorohexanoate
InChI:
InChI=1S/C8H12Cl4O2/c1-2-14-7(13)4-3-6(9)5-8(10,11)12/h6H,2-5H2,1H3
InChI Key:
HGBKSXQEXIUOAR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(CC(Cl)(Cl)Cl)Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.956g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.982g/mol
Monoisotopic Mass:
279.959g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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