Home Halogens 2-bromo-2-cyclopropylacetonitrile

2-bromo-2-cyclopropylacetonitrile

CAS No.:
1551295-22-7
Catalog Number:
AG01B6TY
Molecular Formula:
C5H6BrN
Molecular Weight:
160.0118
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Product Description
Catalog Number:
AG01B6TY
Chemical Name:
2-bromo-2-cyclopropylacetonitrile
CAS Number:
1551295-22-7
Molecular Formula:
C5H6BrN
Molecular Weight:
160.0118
MDL Number:
MFCD25986814
IUPAC Name:
2-bromo-2-cyclopropylacetonitrile
InChI:
InChI=1S/C5H6BrN/c6-5(3-7)4-1-2-4/h4-5H,1-2H2
InChI Key:
VQBHWDFLINNKOF-UHFFFAOYSA-N
SMILES:
BrC(C1CC1)C#N
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.968g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.014g/mol
Monoisotopic Mass:
158.968g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties