1,3-Dimethyl-1H-benzotriazol-3-ium iodide
Basic information
- CAS
22713-35-5- Standard SMILES
Cn1n[n+](C)c2ccccc21.[I-]- InChIKey
PREKKAGLNLTYPX-UHFFFAOYSA-M- Molecular formula
- C8H10IN3
- Average molar mass
- 275.09 g/mol
- Monoisotopic mass
- 274.99194
Names & identifiers
- Preferred name
- 1,3-Dimethyl-1H-benzotriazol-3-ium iodide
- IUPAC
- 1,3-dimethylbenzotriazol-3-ium iodide
Names & synonyms
22713-35-5DTXSID509453911,3-Dimethyl-1H-benzotriazol-3-ium iodideRefChem:1052864DTXCID8013737091,3-Dimethylbenzotriazolium iodide1,3-Dimethyl-1H-1,2,3-benzotriazol-3-ium iodide1,3-dimethylbenzotriazol-3-ium;iodide1,3-Dimethyl-1H-benzo[d][1,2,3]triazol-3-ium iodide1,3-Dimethyl-3H-benzotriazolium iodide1,3-Dimethylbenzotriazolium jodid [German]1,3-Dimethylbenzotriazolium jodid
Show more names
1,3-Dimethyl-1H-benzotriazolium iodidestarbld00369663H-BENZOTRIAZOLIUM, 1,3-DIMETHYL-, IODIDEAT353571H-Benzotriazolium, 1,3-dimethyl-, iodideF182061
Database identifiers
- CAS
22713-35-5- PubChem CID
- 31495
- DTXSID
DTXSID50945391
Properties
Computed structural properties
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
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Related reactions
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Compound notes
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