Basic information
- CAS
4633-02-7- Standard SMILES
Cl.N=c1c[n+](Cc2ccc3c(c2)OCO3)[n-]o1- InChIKey
KMSDVCMSVYFEIU-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3O3
- Average molar mass
- 255.66 g/mol
- Monoisotopic mass
- 255.0410689
Names & identifiers
- Preferred name
- 3-(1,3-Benzodioxol-5-ylmethyl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine;hydrochloride
- IUPAC
- 3-(1,3-benzodioxol-5-ylmethyl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine;hydrochloride
Names & synonyms
4633-02-7DTXSID00637572NSC87664NSC-876643-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-imino-5H-1,2,3-oxadiazol-3-ium-2-ide--hydrogen chloride (1/1)
Database identifiers
- CAS
4633-02-7- PubChem CID
- 24189331
- DTXSID
DTXSID00637572
Properties
Computed structural properties
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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