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1443329-40-5 | 4-Chloro-2,5-difluorophenyl cyclohexyl ketone
CAS No: 1443329-40-5 Catalog No: AG01FAE7 MDL No:
Product Description
Catalog Number:
AG01FAE7
Chemical Name:
4-Chloro-2,5-difluorophenyl cyclohexyl ketone
CAS Number:
1443329-40-5
Molecular Formula:
C13H13ClF2O
Molecular Weight:
258.6915
IUPAC Name:
(4-chloro-2,5-difluorophenyl)-cyclohexylmethanone
InChI:
InChI=1S/C13H13ClF2O/c14-10-7-11(15)9(6-12(10)16)13(17)8-4-2-1-3-5-8/h6-8H,1-5H2
InChI Key:
PVLLRMCZVXFLIH-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)c(cc1F)Cl)C1CCCCC1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.693g/mol
Monoisotopic Mass:
258.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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