3-Phenyloxatriazol-3-ium-5-amine chloride
3-phenyloxatriazol-3-ium-5-amine chloride
Also Known As: 3-phenyloxatriazol-3-ium-5-amine chloride|3-phenyloxatriazol-3-ium-5-amine,chloride|3-phenyloxatriazol-3-ium-5-amine;chloride|1,3,4-Oxatriazolium, 5-amino-3-phenyl-, chloride|5-Amino-3-phenyl-1,2,3,4-oxatriazol-3-ium chloride
CAS: 29185-33-9
| Molecular Formula | C7H7ClN4O |
|---|---|
| Molecular Weight | 198.03084 g/mol |
| LogP | -3.0675 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.03084 |
| Monoisotopic Mass | 198.03084 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 29185-33-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[N+]2=NOC(=N2)N.[Cl-] |
| InChIKey | QYSDAYOVDDUVNM-UHFFFAOYSA-M |
Product Overview
3-Phenyloxatriazol-3-ium-5-amine chloride (CAS 29185-33-9), with molecular formula C7H7ClN4O and molecular weight 198.03084 g/mol. IUPAC: 3-phenyloxatriazol-3-ium-5-amine chloride.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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