Home Halogens 1-(3-chlorophenyl)cyclohexane-1-carbonitrile

1-(3-chlorophenyl)cyclohexane-1-carbonitrile

CAS No.:
959582-31-1
Catalog Number:
AG01AUEW
Molecular Formula:
C13H14ClN
Molecular Weight:
219.7100
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Product Description
Catalog Number:
AG01AUEW
Chemical Name:
1-(3-chlorophenyl)cyclohexane-1-carbonitrile
CAS Number:
959582-31-1
Molecular Formula:
C13H14ClN
Molecular Weight:
219.7100
MDL Number:
MFCD06201858
IUPAC Name:
1-(3-chlorophenyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C13H14ClN/c14-12-6-4-5-11(9-12)13(10-15)7-2-1-3-8-13/h4-6,9H,1-3,7-8H2
InChI Key:
LMLYKFFZJKETHE-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)c1cccc(c1)Cl
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.081g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.712g/mol
Monoisotopic Mass:
219.081g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties