1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1)
Basic information
- CAS
1008-78-2- Standard SMILES
Nc1c[n+](-c2ccccc2)no1.[Cl-]- InChIKey
IUMGUFDITNUNQB-UHFFFAOYSA-M- Molecular formula
- C8H8ClN3O
- Average molar mass
- 197.62 g/mol
- Monoisotopic mass
- 197.0355896
Names & identifiers
- Preferred name
- 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1)
- IUPAC
- 3-phenyloxadiazol-3-ium-5-amine chloride
Names & synonyms
1008-78-21,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1)RefChem:10519833-Phenylsydnone imine monohydrochlorideUD7X6KZH5MSydnone imine, 3-phenyl-, monohydrochloride5-Amino-3-phenyl-1,2,3-oxadiazol-3-ium chlorideNSC 88189UNII-UD7X6KZH5MSCHEMBL26670362DTXSID002767833-phenyloxadiazol-3-ium-5-amine;chloride
Show more names
SY56758416917-41-2
Database identifiers
- CAS
1008-78-2、16917-41-2- PubChem CID
- 200205
- DTXSID
DTXSID00276783- UNII
- UD7X6KZH5M
Properties
Computed structural properties
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 147
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Compound notes
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