1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt

Base Information

• Chemical Name: 1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt
• CAS No.: 63816-04-6
• Molecular Formula: C15H18 Cl F3 N2 O3 S
• Molecular Weight: 398.8282296
• European Community (EC) Number: 264-486-8
• DSSTox Substance ID: DTXSID2070003
• Nikkaji Number: J286.568H
• Wikidata: Q81997156
• Mol file: 63816-04-6.mol

Synonyms:63816-04-6;EINECS 264-486-8;1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt;6-Chloro-1-ethyl-2-methyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium;1H-Benzimidazolium, 5-chloro-3-ethyl-2-methyl-1-(4-sulfobutyl)-6-trifluoromethyl)-, hydroxide, inner salt;C15H18ClF3N2O3S;DTXSID2070003;C15-H18-Cl-F3-N2-O3-S;6-Chloro-1-ethyl-2-methyl-3-(4-sulfonatobutyl)-5-(trifluoromethyl)-1H-benzimidazol-3-ium;6-Chloro-1-ethyl-2-methyl-3-(4-sulfonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium;1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt

Chemical Property of 1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 398.0678758
• Heavy Atom Count: 25
• Complexity: 542

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1C(=[N+](C2=C1C=C(C(=C2)C(F)(F)F)Cl)CCCCS(=O)(=O)[O-])C