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13038-11-4 | Dodecanoic acid, 10,12,12,12-tetrachloro-, methyl ester
CAS No: 13038-11-4 Catalog No: AG000UCH MDL No:
Product Description
Catalog Number:
AG000UCH
Chemical Name:
Dodecanoic acid, 10,12,12,12-tetrachloro-, methyl ester
CAS Number:
13038-11-4
Molecular Formula:
C13H22Cl4O2
Molecular Weight:
352.1246
IUPAC Name:
methyl 10,12,12,12-tetrachlorododecanoate
InChI:
InChI=1S/C13H22Cl4O2/c1-19-12(18)9-7-5-3-2-4-6-8-11(14)10-13(15,16)17/h11H,2-10H2,1H3
InChI Key:
ZMPQATHGYNANJN-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCC(CC(Cl)(Cl)Cl)Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.034g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.117g/mol
Monoisotopic Mass:
350.037g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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