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951887-23-3 | Ethyl 5-(2-Chloro-4,5-difluorophenyl)-5-oxovalerate
CAS No: 951887-23-3 Catalog No: AG01F8WS MDL No:
Product Description
Catalog Number:
AG01F8WS
Chemical Name:
Ethyl 5-(2-Chloro-4,5-difluorophenyl)-5-oxovalerate
CAS Number:
951887-23-3
Molecular Formula:
C13H13ClF2O3
Molecular Weight:
290.6903
IUPAC Name:
ethyl 5-(2-chloro-4,5-difluorophenyl)-5-oxopentanoate
InChI:
InChI=1S/C13H13ClF2O3/c1-2-19-13(18)5-3-4-12(17)8-6-10(15)11(16)7-9(8)14/h6-7H,2-5H2,1H3
InChI Key:
XYVGSTJEXUJYGQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1cc(F)c(cc1Cl)F
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.691g/mol
Monoisotopic Mass:
290.052g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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