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951886-22-9 | Ethyl 5-(2-Chloro-4-fluorophenyl)-5-oxovalerate
CAS No: 951886-22-9 Catalog No: AG01F9Y6 MDL No:
Product Description
Catalog Number:
AG01F9Y6
Chemical Name:
Ethyl 5-(2-Chloro-4-fluorophenyl)-5-oxovalerate
CAS Number:
951886-22-9
Molecular Formula:
C13H14ClFO3
Molecular Weight:
272.6999
IUPAC Name:
ethyl 5-(2-chloro-4-fluorophenyl)-5-oxopentanoate
InChI:
InChI=1S/C13H14ClFO3/c1-2-18-13(17)5-3-4-12(16)10-7-6-9(15)8-11(10)14/h6-8H,2-5H2,1H3
InChI Key:
KSTXNOAHPOTYCG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1ccc(cc1Cl)F
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.7g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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