Home Nitriles 5-Chloro-1-methyl-1h-pyrazole-4-carbonitrile

5-Chloro-1-methyl-1h-pyrazole-4-carbonitrile

CAS No.:
111493-52-8
Catalog Number:
AG0092WJ
Molecular Formula:
C5H4ClN3
Molecular Weight:
141.5584
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$464
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Product Description
Catalog Number:
AG0092WJ
Chemical Name:
5-Chloro-1-methyl-1h-pyrazole-4-carbonitrile
CAS Number:
111493-52-8
Molecular Formula:
C5H4ClN3
Molecular Weight:
141.5584
MDL Number:
MFCD16619821
IUPAC Name:
5-chloro-1-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C5H4ClN3/c1-9-5(6)4(2-7)3-8-9/h3H,1H3
InChI Key:
ALYKYQFBPPPPMI-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1Cl)C
Properties
Complexity:
150  
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:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties