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951887-32-4 | Ethyl 8-(2-Chloro-4,5-difluorophenyl)-8-oxooctanoate
CAS No: 951887-32-4 Catalog No: AG01F8NJ MDL No:
Product Description
Catalog Number:
AG01F8NJ
Chemical Name:
Ethyl 8-(2-Chloro-4,5-difluorophenyl)-8-oxooctanoate
CAS Number:
951887-32-4
Molecular Formula:
C16H19ClF2O3
Molecular Weight:
332.7701
IUPAC Name:
ethyl 8-(2-chloro-4,5-difluorophenyl)-8-oxooctanoate
InChI:
InChI=1S/C16H19ClF2O3/c1-2-22-16(21)8-6-4-3-5-7-15(20)11-9-13(18)14(19)10-12(11)17/h9-10H,2-8H2,1H3
InChI Key:
RNQHLAWKWYNVEG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1cc(F)c(cc1Cl)F
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.772g/mol
Monoisotopic Mass:
332.099g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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