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1443342-98-0 | 2-Chloro-6-fluorophenyl cyclopentyl ketone
CAS No: 1443342-98-0 Catalog No: AG01FBCA MDL No:
Product Description
Catalog Number:
AG01FBCA
Chemical Name:
2-Chloro-6-fluorophenyl cyclopentyl ketone
CAS Number:
1443342-98-0
Molecular Formula:
C12H12ClFO
Molecular Weight:
226.6745
IUPAC Name:
(2-chloro-6-fluorophenyl)-cyclopentylmethanone
InChI:
InChI=1S/C12H12ClFO/c13-9-6-3-7-10(14)11(9)12(15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChI Key:
YFXYRALPNGXLBK-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1C(=O)C1CCCC1)Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.675g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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