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Home > Imidazoles > 1392803-62-1
1392803-62-1 | 1H-Imidazole-2-carbonitrile, hydrochloride (1:1)
CAS No: 1392803-62-1 Catalog No: AG001ANE MDL No:MFCD22573391
Product Description
Catalog Number:
AG001ANE
Chemical Name:
1H-Imidazole-2-carbonitrile, hydrochloride (1:1)
CAS Number:
1392803-62-1
Molecular Formula:
C4H4ClN3
Molecular Weight:
129.5477
MDL Number:
MFCD22573391
IUPAC Name:
1H-imidazole-2-carbonitrile;hydrochloride
InChI:
InChI=1S/C4H3N3.ClH/c5-3-4-6-1-2-7-4;/h1-2H,(H,6,7);1H
InChI Key:
KIGJLQVEYYTWPP-UHFFFAOYSA-N
SMILES:
N#Cc1ncc[nH]1.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
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