Home Halogens 3-chloro-2,2-dimethylpropanenitrile

3-chloro-2,2-dimethylpropanenitrile

CAS No.:
131221-78-8
Catalog Number:
AG01B8QG
Molecular Formula:
C5H8ClN
Molecular Weight:
117.5767
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Product Description
Catalog Number:
AG01B8QG
Chemical Name:
3-chloro-2,2-dimethylpropanenitrile
CAS Number:
131221-78-8
Molecular Formula:
C5H8ClN
Molecular Weight:
117.5767
MDL Number:
MFCD18431757
IUPAC Name:
3-chloro-2,2-dimethylpropanenitrile
InChI:
InChI=1S/C5H8ClN/c1-5(2,3-6)4-7/h3H2,1-2H3
InChI Key:
PXZDLYNPORAVMO-UHFFFAOYSA-N
SMILES:
ClCC(C#N)(C)C
Properties
Complexity:
97.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.035g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.576g/mol
Monoisotopic Mass:
117.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties