Basic information
- CAS
76326-95-9- Standard SMILES
N[n+]1ccc2ccccc2c1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
DRHQWEAEJSWUAJ-UHFFFAOYSA-M- Molecular formula
- C9H9ClN2O4
- Average molar mass
- 244.63 g/mol
- Monoisotopic mass
- 244.0250845
Names & identifiers
- Preferred name
- Isoquinolinium, 2-amino-, perchlorate
- IUPAC
- isoquinolin-2-ium-2-amine perchlorate
Names & synonyms
2-Amino-isoquinolinium perchlorateISOQUINOLINIUM, 2-AMINO-, PERCHLORATE76326-95-9DTXSID90227188RefChem:350099DTXCID901496792-Aminoisoquinolin-2-ium perchlorate
Database identifiers
- CAS
76326-95-9- PubChem CID
- 53472
- DTXSID
DTXSID90227188
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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