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1094338-35-8

1094338-35-8 | 2,5-Difluorophenyl cyclohexyl ketone

CAS No: 1094338-35-8 Catalog No: AG01FDB1 MDL No:

Product Description

Catalog Number:
AG01FDB1
Chemical Name:
2,5-Difluorophenyl cyclohexyl ketone
CAS Number:
1094338-35-8
Molecular Formula:
C13H14F2O
Molecular Weight:
224.2465
IUPAC Name:
cyclohexyl-(2,5-difluorophenyl)methanone
InChI:
InChI=1S/C13H14F2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2
InChI Key:
FLOWPLRXAHNASK-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)ccc1F)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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