| CAS Number | 1392803-62-1 |
| Catalog Number | AG001ANE(AGN-PC-0WBSEZ) |
| Chemical Name | 1H-imidazole-2-carbonitrile hydrochloride |
| 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 |
| MDL Number | MFCD22573391 |
| Molecular Formula | C4H4ClN3 |
| Molecular Weight | 129.5477 |
| SMILES | Cl.N#CC1NC=CN=1 |
| Synonyms | 1H-IMIDAZOLE-2-CARBONITRILE HYDROCHLORIDE,
1392803-62-1,
1H-IMIDAZOLE-2-CARBONITRILE HCL,
KS-000006MU,
MFCD22573391,
AKOS025291162,
PB36638,
SB19938,
1H-imidazole-2-carbonitrile;hydrochloride,
AK171535,
AS-34312,
CS-0052548,
Q-1873,
1H-Imidazole-2-carbonitrile, hydrochloride (1:1),
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number