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

Base Information

• Chemical Name: Benzoxazolium, 2-methyl-5-phenyl-3-(2-sulfoethyl)-, inner salt
• CAS No.: 95657-94-6
• Molecular Weight: 0
• European Community (EC) Number: 619-155-6
• DSSTox Substance ID: DTXSID601177183
• Mol file: 95657-94-6.mol

Synonyms:DTXSID601177183;Benzoxazolium, 2-methyl-5-phenyl-3-(2-sulfoethyl)-, inner salt;95657-94-6

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

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 317.07217913
• Heavy Atom Count: 22
• Complexity: 456

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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