Home Nitriles (4-Chloro-1H-pyrazol-1-yl)acetonitrile

(4-Chloro-1H-pyrazol-1-yl)acetonitrile

CAS No.:
113336-23-5
Catalog Number:
AG0081YZ
Molecular Formula:
C5H4ClN3
Molecular Weight:
141.5584
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$50
- +
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG0081YZ
Chemical Name:
(4-Chloro-1H-pyrazol-1-yl)acetonitrile
CAS Number:
113336-23-5
Molecular Formula:
C5H4ClN3
Molecular Weight:
141.5584
MDL Number:
MFCD04969697
IUPAC Name:
2-(4-chloropyrazol-1-yl)acetonitrile
InChI:
InChI=1S/C5H4ClN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,2H2
InChI Key:
ZEFWSTXCHGXTJA-UHFFFAOYSA-N
SMILES:
Clc1cn(nc1)CC#N
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.009g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.558g/mol
Monoisotopic Mass:
141.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties