Basic information
- CAS
67292-59-5- Standard SMILES
Nc1ccc(C2=N[NH2+]C(=[NH2+])O2)cc1.[Cl-].[Cl-]- InChIKey
SHWGWAOACSBBTI-UHFFFAOYSA-N- Molecular formula
- C8H10Cl2N4O
- Average molar mass
- 249.09 g/mol
- Monoisotopic mass
- 248.0231663
Names & identifiers
- Preferred name
- 4-(5-Imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)aniline--hydrogen chloride (1/2)
- IUPAC
- [5-(4-aminophenyl)-3H-1,3,4-oxadiazol-3-ium-2-ylidene]azanium dichloride
Names & synonyms
DTXSID709864834-(5-Imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)aniline--hydrogen chloride (1/2)RefChem:1070004DTXCID2014136662-(p-Aminophenyl)-5-imino-delta(sup 2)-1,3,4-oxadiazoline dihydrochloride67292-59-5delta(sup 2)-1,3,4-OXADIAZOLINE, 2-(p-AMINOPHENYL)-5-IMINO-, DIHYDROCHLORIDE
Database identifiers
- CAS
67292-59-5- PubChem CID
- 49753
Properties
Computed structural properties
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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