Home Halogens 3-bromo-2-methylpropanenitrile

3-bromo-2-methylpropanenitrile

CAS No.:
53744-77-7
Catalog Number:
AG01AP46
Molecular Formula:
C4H6BrN
Molecular Weight:
148.0011
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Product Description
Catalog Number:
AG01AP46
Chemical Name:
3-bromo-2-methylpropanenitrile
CAS Number:
53744-77-7
Molecular Formula:
C4H6BrN
Molecular Weight:
148.0011
MDL Number:
MFCD18294624
IUPAC Name:
3-bromo-2-methylpropanenitrile
InChI:
InChI=1S/C4H6BrN/c1-4(2-5)3-6/h4H,2H2,1H3
InChI Key:
ARVAJFOYUNZGNL-UHFFFAOYSA-N
SMILES:
CC(C#N)CBr
Properties
Complexity:
70.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.968g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.003g/mol
Monoisotopic Mass:
146.968g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties