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951887-11-9 | Ethyl 6-(2-Chloro-6-fluorophenyl)-6-oxohexanoate
CAS No: 951887-11-9 Catalog No: AG01F9OD MDL No:
Product Description
Catalog Number:
AG01F9OD
Chemical Name:
Ethyl 6-(2-Chloro-6-fluorophenyl)-6-oxohexanoate
CAS Number:
951887-11-9
Molecular Formula:
C14H16ClFO3
Molecular Weight:
286.7264
IUPAC Name:
ethyl 6-(2-chloro-6-fluorophenyl)-6-oxohexanoate
InChI:
InChI=1S/C14H16ClFO3/c1-2-19-13(18)9-4-3-8-12(17)14-10(15)6-5-7-11(14)16/h5-7H,2-4,8-9H2,1H3
InChI Key:
ADRBNENASDCHSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=O)c1c(F)cccc1Cl
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.727g/mol
Monoisotopic Mass:
286.077g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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