Home Nitriles 1-(2,4-difluorophenyl)cyclohexane-1-carbonitrile

1-(2,4-difluorophenyl)cyclohexane-1-carbonitrile

CAS No.:
1260802-64-9
Catalog Number:
AG01AG3E
Molecular Formula:
C13H13F2N
Molecular Weight:
221.2458
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Product Description
Catalog Number:
AG01AG3E
Chemical Name:
1-(2,4-difluorophenyl)cyclohexane-1-carbonitrile
CAS Number:
1260802-64-9
Molecular Formula:
C13H13F2N
Molecular Weight:
221.2458
MDL Number:
MFCD11036785
IUPAC Name:
1-(2,4-difluorophenyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C13H13F2N/c14-10-4-5-11(12(15)8-10)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChI Key:
GJCMAAIIVRTVJX-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)c1ccc(cc1F)F
Properties
Complexity:
288  
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:
3.7  
Properties