Home Halogens 4-bromobut-2-enenitrile

4-bromobut-2-enenitrile

CAS No.:
42879-03-8
Catalog Number:
AG01A0GA
Molecular Formula:
C4H4BrN
Molecular Weight:
145.9853
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Product Description
Catalog Number:
AG01A0GA
Chemical Name:
4-bromobut-2-enenitrile
CAS Number:
42879-03-8
Molecular Formula:
C4H4BrN
Molecular Weight:
145.9853
MDL Number:
MFCD20483910
IUPAC Name:
4-bromobut-2-enenitrile
InChI:
InChI=1S/C4H4BrN/c5-3-1-2-4-6/h1-2H,3H2
InChI Key:
DNQQWHOUZPHKMD-UHFFFAOYSA-N
SMILES:
BrCC=CC#N
Properties
Complexity:
87  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.953g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.987g/mol
Monoisotopic Mass:
144.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1  
Properties