Home Nitriles 1H-Pyrazole-4-carbonitrile, hydrochloride (1

1H-Pyrazole-4-carbonitrile, hydrochloride (1

CAS No.:
1416351-94-4
Catalog Number:
AG009HM2
Molecular Formula:
C4H4ClN3
Molecular Weight:
129.5477
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Product Description
Catalog Number:
AG009HM2
Chemical Name:
1H-Pyrazole-4-carbonitrile, hydrochloride (1
CAS Number:
1416351-94-4
Molecular Formula:
C4H4ClN3
Molecular Weight:
129.5477
MDL Number:
MFCD22375689
IUPAC Name:
1H-pyrazole-4-carbonitrile;hydrochloride
InChI:
InChI=1S/C4H3N3.ClH/c5-1-4-2-6-7-3-4;/h2-3H,(H,6,7);1H
InChI Key:
JXSZCZJXJVUJEE-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]nc1.Cl
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.009g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
129.547g/mol
Monoisotopic Mass:
129.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties