Home Halogens Cyclohexanecarbonitrile,1-(chloromethyl)-

Cyclohexanecarbonitrile,1-(chloromethyl)-

CAS No.:
112905-95-0
Catalog Number:
AG007ROD
Molecular Formula:
C8H12ClN
Molecular Weight:
157.6406
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Product Description
Catalog Number:
AG007ROD
Chemical Name:
Cyclohexanecarbonitrile,1-(chloromethyl)-
CAS Number:
112905-95-0
Molecular Formula:
C8H12ClN
Molecular Weight:
157.6406
MDL Number:
MFCD01570824
IUPAC Name:
1-(chloromethyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C8H12ClN/c9-6-8(7-10)4-2-1-3-5-8/h1-6H2
InChI Key:
BWQNUOFYAYIAIY-UHFFFAOYSA-N
SMILES:
ClCC1(CCCCC1)C#N
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.066g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.641g/mol
Monoisotopic Mass:
157.066g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties