Home Halogens 2-(4-bromo-1H-pyrazol-1-yl)propanenitrile

2-(4-bromo-1H-pyrazol-1-yl)propanenitrile

CAS No.:
1250407-46-5
Catalog Number:
AG01C4YI
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
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Product Description
Catalog Number:
AG01C4YI
Chemical Name:
2-(4-bromo-1H-pyrazol-1-yl)propanenitrile
CAS Number:
1250407-46-5
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
MDL Number:
MFCD16079123
IUPAC Name:
2-(4-bromopyrazol-1-yl)propanenitrile
InChI:
InChI=1S/C6H6BrN3/c1-5(2-8)10-4-6(7)3-9-10/h3-5H,1H3
InChI Key:
MIDJXRJYALHPFZ-UHFFFAOYSA-N
SMILES:
CC(n1cc(cn1)Br)C#N
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.975g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.039g/mol
Monoisotopic Mass:
198.975g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties