Home Halogens 2-bromo-3-methylbutanenitrile

2-bromo-3-methylbutanenitrile

CAS No.:
25117-57-1
Catalog Number:
AG01DW9P
Molecular Formula:
C5H8BrN
Molecular Weight:
162.0277
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Product Description
Catalog Number:
AG01DW9P
Chemical Name:
2-bromo-3-methylbutanenitrile
CAS Number:
25117-57-1
Molecular Formula:
C5H8BrN
Molecular Weight:
162.0277
MDL Number:
MFCD20621558
IUPAC Name:
2-bromo-3-methylbutanenitrile
InChI:
InChI=1S/C5H8BrN/c1-4(2)5(6)3-7/h4-5H,1-2H3
InChI Key:
BJERBFCIVSSJCS-UHFFFAOYSA-N
SMILES:
BrC(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:
160.984g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.03g/mol
Monoisotopic Mass:
160.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties