Home Halogens Butanenitrile, 2-chloro-3-methyl-

Butanenitrile, 2-chloro-3-methyl-

CAS No.:
70477-21-3
Catalog Number:
AG006858
Molecular Formula:
C5H8ClN
Molecular Weight:
117.5767
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Product Description
Catalog Number:
AG006858
Chemical Name:
Butanenitrile, 2-chloro-3-methyl-
CAS Number:
70477-21-3
Molecular Formula:
C5H8ClN
Molecular Weight:
117.5767
MDL Number:
MFCD00041462
IUPAC Name:
2-chloro-3-methylbutanenitrile
InChI:
InChI=1S/C5H8ClN/c1-4(2)5(6)3-7/h4-5H,1-2H3
InChI Key:
GMPPCOCINGLLFH-UHFFFAOYSA-N
SMILES:
ClC(C(C)C)C#N
Properties
Complexity:
89.5  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties