Home Halogens 1-(2-chloroethyl)cyclohexane-1-carbonitrile

1-(2-chloroethyl)cyclohexane-1-carbonitrile

CAS No.:
94695-90-6
Catalog Number:
AG01C2VV
Molecular Formula:
C9H14ClN
Molecular Weight:
171.6672
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Product Description
Catalog Number:
AG01C2VV
Chemical Name:
1-(2-chloroethyl)cyclohexane-1-carbonitrile
CAS Number:
94695-90-6
Molecular Formula:
C9H14ClN
Molecular Weight:
171.6672
MDL Number:
MFCD20626996
IUPAC Name:
1-(2-chloroethyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C9H14ClN/c10-7-6-9(8-11)4-2-1-3-5-9/h1-7H2
InChI Key:
NFDLLKHDNXWXGP-UHFFFAOYSA-N
SMILES:
ClCCC1(CCCCC1)C#N
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.081g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.668g/mol
Monoisotopic Mass:
171.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties