Benzoxazolium, 2-methyl-5-phenyl-3-(4-sulfobutyl)-, inner salt

Base Information

• Chemical Name: Benzoxazolium, 2-methyl-5-phenyl-3-(4-sulfobutyl)-, inner salt
• CAS No.: 55526-94-8
• Molecular Formula: C18H19 N O4 S
• Molecular Weight: 345.42
• DSSTox Substance ID: DTXSID6069032
• Wikidata: Q81995821
• Mol file: 55526-94-8.mol

Synonyms:Benzoxazolium, 2-methyl-5-phenyl-3-(4-sulfobutyl)-, inner salt;55526-94-8;Benzoxazolium, 2-methyl-5-phenyl-3-(4-sulfobutyl)-, hydroxide, inner salt;SCHEMBL8942786;DTXSID6069032;2-Methyl-5-phenyl-3-(4-sulfobutyl)benzoxazolium salt

Chemical Property of Benzoxazolium, 2-methyl-5-phenyl-3-(4-sulfobutyl)-, inner salt

Chemical Property:

• PSA: 101.37000
• LogP: 4.46150
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 345.10347926
• Heavy Atom Count: 24
• Complexity: 484

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCCS(=O)(=O)[O-]