Home Halogens 2-(bromomethyl)butanenitrile

2-(bromomethyl)butanenitrile

CAS No.:
1275469-70-9
Catalog Number:
AG01ANC4
Molecular Formula:
C5H8BrN
Molecular Weight:
162.0277
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Product Description
Catalog Number:
AG01ANC4
Chemical Name:
2-(bromomethyl)butanenitrile
CAS Number:
1275469-70-9
Molecular Formula:
C5H8BrN
Molecular Weight:
162.0277
MDL Number:
MFCD18294600
IUPAC Name:
2-(bromomethyl)butanenitrile
InChI:
InChI=1S/C5H8BrN/c1-2-5(3-6)4-7/h5H,2-3H2,1H3
InChI Key:
MYGHSIUWISNFEI-UHFFFAOYSA-N
SMILES:
CCC(C#N)CBr
Properties
Complexity:
81.3  
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:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties