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1344347-07-4 | 2,3-Difluorophenyl cyclohexyl ketone
CAS No: 1344347-07-4 Catalog No: AG01FDIA MDL No:
Product Description
Catalog Number:
AG01FDIA
Chemical Name:
2,3-Difluorophenyl cyclohexyl ketone
CAS Number:
1344347-07-4
Molecular Formula:
C13H14F2O
Molecular Weight:
224.2465
IUPAC Name:
cyclohexyl-(2,3-difluorophenyl)methanone
InChI:
InChI=1S/C13H14F2O/c14-11-8-4-7-10(12(11)15)13(16)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChI Key:
UBOYWMPDWWJZJG-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1F)F)C1CCCCC1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.251g/mol
Monoisotopic Mass:
224.101g/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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