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951887-26-6 | Ethyl 6-(2-Chloro-4,5-difluorophenyl)-6-oxohexanoate
CAS No: 951887-26-6 Catalog No: AG01F8NI MDL No:
Product Description
Catalog Number:
AG01F8NI
Chemical Name:
Ethyl 6-(2-Chloro-4,5-difluorophenyl)-6-oxohexanoate
CAS Number:
951887-26-6
Molecular Formula:
C14H15ClF2O3
Molecular Weight:
304.7169
IUPAC Name:
ethyl 6-(2-chloro-4,5-difluorophenyl)-6-oxohexanoate
InChI:
InChI=1S/C14H15ClF2O3/c1-2-20-14(19)6-4-3-5-13(18)9-7-11(16)12(17)8-10(9)15/h7-8H,2-6H2,1H3
InChI Key:
HJUQHFPXKQCNEK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=O)c1cc(F)c(cc1Cl)F
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.718g/mol
Monoisotopic Mass:
304.068g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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