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1443354-50-4 | 2-Chloro-6-fluorophenyl cyclohexyl ketone
CAS No: 1443354-50-4 Catalog No: AG01FBP7 MDL No:
Product Description
Catalog Number:
AG01FBP7
Chemical Name:
2-Chloro-6-fluorophenyl cyclohexyl ketone
CAS Number:
1443354-50-4
Molecular Formula:
C13H14ClFO
Molecular Weight:
240.7011
IUPAC Name:
(2-chloro-6-fluorophenyl)-cyclohexylmethanone
InChI:
InChI=1S/C13H14ClFO/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChI Key:
HFLLWHZNZUMRRP-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1C(=O)C1CCCCC1)Cl
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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