Home Nitriles 3-(4-Bromo-1h-pyrazol-1-yl)propanenitrile

3-(4-Bromo-1h-pyrazol-1-yl)propanenitrile

CAS No.:
1007518-24-2
Catalog Number:
AG009M49
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG009M49
Chemical Name:
3-(4-Bromo-1h-pyrazol-1-yl)propanenitrile
CAS Number:
1007518-24-2
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
MDL Number:
MFCD08701108
IUPAC Name:
3-(4-bromopyrazol-1-yl)propanenitrile
InChI:
InChI=1S/C6H6BrN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1,3H2
InChI Key:
HXHGHKZQUZNBOG-UHFFFAOYSA-N
SMILES:
Brc1cn(nc1)CCC#N
Properties
Complexity:
150  
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:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties