Basic information
- CAS
68413-90-1- Standard SMILES
Cc1n(CCCS(=O)(=O)[O-])c2cc(C(F)(F)F)ccc2[n+]1C.[Cl-].[Na+]- InChIKey
HVLXYARDVORZRK-UHFFFAOYSA-M- Molecular formula
- C13H15ClF3N2NaO3S
- Average molar mass
- 394.77 g/mol
- Monoisotopic mass
- 394.03417
Names & identifiers
- Preferred name
- 1H-Benzimidazolium, 1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, chloride, sodium salt (1:1:1)
- IUPAC
- sodium;3-[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]propane-1-sulfonate;chloride
Names & synonyms
68413-90-1EINECS 270-262-01H-Benzimidazolium, 1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, chloride, sodium saltDTXSID0013404771,2-Methyl-5-(trifluoromethyl)-3-(3-sulfopropyl)benzimidazolium chloride, sodium salt1H-Benzimidazolium, 1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, chloride, sodium salt (1:1:1)RefChem:438125DTXCID901769729HVLXYARDVORZRK-UHFFFAOYSA-M
Database identifiers
- CAS
68413-90-1- PubChem CID
- 110233
- DTXSID
DTXSID001340477- EC Number
- 270-262-0
Properties
Computed structural properties
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benzimidazolium, 1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, chloride, sodium salt (1:1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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