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1443343-26-7 | 3-Chloro-6-fluorophenyl cyclohexyl ketone
CAS No: 1443343-26-7 Catalog No: AG01FBOD MDL No:
Product Description
Catalog Number:
AG01FBOD
Chemical Name:
3-Chloro-6-fluorophenyl cyclohexyl ketone
CAS Number:
1443343-26-7
Molecular Formula:
C13H14ClFO
Molecular Weight:
240.7011
IUPAC Name:
(5-chloro-2-fluorophenyl)-cyclohexylmethanone
InChI:
InChI=1S/C13H14ClFO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2
InChI Key:
FEQAAYRWOFRLOY-UHFFFAOYSA-N
SMILES:
O=C(c1cc(Cl)ccc1F)C1CCCCC1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.702g/mol
Monoisotopic Mass:
240.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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