Basic information
- CAS
5260-36-6- Standard SMILES
Cc1oc2ccccc2[n+]1C.[I-]- InChIKey
GXFFWWZGSFATBE-UHFFFAOYSA-M- Molecular formula
- C9H10INO
- Average molar mass
- 275.09 g/mol
- Monoisotopic mass
- 274.98071
Names & identifiers
- Preferred name
- 2,3-Dimethyl-1,3-benzoxazol-3-ium iodide
- IUPAC
- 2,3-dimethyl-1,3-benzoxazol-3-ium iodide
Names & synonyms
5260-36-62,3-Dimethyl-1,3-benzoxazol-3-ium iodideDTXSID70493162RefChem:244981DTXCID404439722,3-Dimethylbenzo[d]oxazol-3-ium iodideSCHEMBL18744012.3-Dimethyl-benzoxazoliumjodid2,3-dimethylbenzoxazolium iodideGXFFWWZGSFATBE-UHFFFAOYSA-MNSC10496NSC-10496
Database identifiers
- CAS
5260-36-6- PubChem CID
- 12349395
- DTXSID
DTXSID70493162
Properties
Computed structural properties
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Related reactions
2 records
Compound notes
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