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Home > Fluorides > 1246744-42-2
1246744-42-2 | Cyclohexanecarbonitrile, 4,4-difluoro-1-phenyl-
CAS No: 1246744-42-2 Catalog No: AG000MLF MDL No:
Product Description
Catalog Number:
AG000MLF
Chemical Name:
Cyclohexanecarbonitrile, 4,4-difluoro-1-phenyl-
CAS Number:
1246744-42-2
Molecular Formula:
C13H13F2N
Molecular Weight:
221.2458
IUPAC Name:
4,4-difluoro-1-phenylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C13H13F2N/c14-13(15)8-6-12(10-16,7-9-13)11-4-2-1-3-5-11/h1-5H,6-9H2
InChI Key:
QKOGRKVFGLOODF-UHFFFAOYSA-N
SMILES:
N#CC1(CCC(CC1)(F)F)c1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.251g/mol
Monoisotopic Mass:
221.102g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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