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951887-63-1 | Ethyl 8-(3,4,5-trichlorophenyl)-8-oxooctanoate
CAS No: 951887-63-1 Catalog No: AG01FA72 MDL No:
Product Description
Catalog Number:
AG01FA72
Chemical Name:
Ethyl 8-(3,4,5-trichlorophenyl)-8-oxooctanoate
CAS Number:
951887-63-1
Molecular Formula:
C16H19Cl3O3
Molecular Weight:
365.6793
IUPAC Name:
ethyl 8-oxo-8-(3,4,5-trichlorophenyl)octanoate
InChI:
InChI=1S/C16H19Cl3O3/c1-2-22-15(21)8-6-4-3-5-7-14(20)11-9-12(17)16(19)13(18)10-11/h9-10H,2-8H2,1H3
InChI Key:
LQWPIBKHVWAJGG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1cc(Cl)c(c(c1)Cl)Cl
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.04g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.675g/mol
Monoisotopic Mass:
364.04g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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