Home Halogens 2-chloro-2-cyclohexylacetonitrile

2-chloro-2-cyclohexylacetonitrile

CAS No.:
29770-68-1
Catalog Number:
AG01AITU
Molecular Formula:
C8H12ClN
Molecular Weight:
157.6406
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Product Description
Catalog Number:
AG01AITU
Chemical Name:
2-chloro-2-cyclohexylacetonitrile
CAS Number:
29770-68-1
Molecular Formula:
C8H12ClN
Molecular Weight:
157.6406
MDL Number:
MFCD16146957
IUPAC Name:
2-chloro-2-cyclohexylacetonitrile
InChI:
InChI=1S/C8H12ClN/c9-8(6-10)7-4-2-1-3-5-7/h7-8H,1-5H2
InChI Key:
FWYNCHBBDIJSRE-UHFFFAOYSA-N
SMILES:
ClC(C1CCCCC1)C#N
Properties
Complexity:
141  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties