5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium

Base Information

• Chemical Name: 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium
• CAS No.: 63148-89-0
• Molecular Formula: C16H20ClNO5S
• Molecular Weight: 373.8517
• European Community (EC) Number: 263-941-8
• UNII: J97JL651P4
• DSSTox Substance ID: DTXSID8069723
• Mol file: 63148-89-0.mol

Synonyms:5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium;Benzoxazolium, 5-chloro-2-(2-ethoxy-1-butenyl)-3-(3-sulfopropyl)-, inner salt;63148-89-0;J97JL651P4;EINECS 263-941-8;Benzoxazolium, 5-chloro-2-(2-ethoxy-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt;Benzoxazolium, 5-chloro-2-(2-ethoxy-1-butenyl)-3-(3-sulfopropyl)-, hydroxide, inner salt;C16H20ClNO5S;C16-H20-Cl-N-O5-S;UNII-J97JL651P4;DTXSID8069723

Chemical Property of 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 373.0750716
• Heavy Atom Count: 24
• Complexity: 520

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-])OCC

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