Basic information
- CAS
46271-32-3- Standard SMILES
C[n+]1ccc2c([N+](=O)[O-])cccc2c1- InChIKey
MVPVBUVFNRTMPZ-UHFFFAOYSA-N- Molecular formula
- C10H9N2O2+
- Average molar mass
- 189.19 g/mol
- Monoisotopic mass
- 189.06640253
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Methyl-5-nitroisoquinolinium
- IUPAC
- 2-methyl-5-nitroisoquinolin-2-ium
- English name
- Isoquinolinium, 2-methyl-5-nitro- (9CI)
- Molecular formula
- C10H9N2O2+
- Molecular weight
- 189.19066
Names & synonyms
2-methyl-5-nitroisoquinoliniumRefChem:3501012-Me-5-NIQ2-methyl-5-nitroisoquinolin-2-ium46271-32-3Isoquinolinium, 2-methyl-5-nitro-Isoquinolinium, 2-methyl-5-nitro- (9CI)SCHEMBL10256827DTXSID10330946AKOS032955678
Database identifiers
- CAS
46271-32-3- PubChem CID
- 433772
- DTXSID
DTXSID10330946- Nikkaji
- J1.493.541J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 227
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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