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951887-56-2 | Ethyl 6-(3,4,5-trichlorophenyl)-6-oxohexanoate
CAS No: 951887-56-2 Catalog No: AG01FA71 MDL No:
Product Description
Catalog Number:
AG01FA71
Chemical Name:
Ethyl 6-(3,4,5-trichlorophenyl)-6-oxohexanoate
CAS Number:
951887-56-2
Molecular Formula:
C14H15Cl3O3
Molecular Weight:
337.6261
IUPAC Name:
ethyl 6-oxo-6-(3,4,5-trichlorophenyl)hexanoate
InChI:
InChI=1S/C14H15Cl3O3/c1-2-20-13(19)6-4-3-5-12(18)9-7-10(15)14(17)11(16)8-9/h7-8H,2-6H2,1H3
InChI Key:
HQIFZKFCCKIPPC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=O)c1cc(Cl)c(c(c1)Cl)Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.009g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.621g/mol
Monoisotopic Mass:
336.009g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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