Benzoxazolium, 5-cyano-2-(3-(5-cyano-3-methyl-2(3H)-benzoxazolylidene)-1-propenyl)-3-methyl-, fluorosulfate

Base Information

• Chemical Name: Benzoxazolium, 5-cyano-2-(3-(5-cyano-3-methyl-2(3H)-benzoxazolylidene)-1-propenyl)-3-methyl-, fluorosulfate
• CAS No.: 74042-95-8
• Molecular Formula: C21H15FN4O5S
• Molecular Weight: 454.431
• DSSTox Substance ID: DTXSID20224943

Synonyms:74042-95-8;Benzoxazolium, 5-cyano-2-(3-(5-cyano-3-methyl-2(3H)-benzoxazolylidene)-1-propenyl)-3-methyl-, fluorosulfate;C21H15N4O2.FO3S;DTXSID20224943;C21-H15-N4-O2.F-O3-S

Chemical Property of Benzoxazolium, 5-cyano-2-(3-(5-cyano-3-methyl-2(3H)-benzoxazolylidene)-1-propenyl)-3-methyl-, fluorosulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 454.07471893
• Heavy Atom Count: 32
• Complexity: 748

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=CC(=C2)C#N)OC1=CC=CC3=[N+](C4=C(O3)C=CC(=C4)C#N)C.[O-]S(=O)(=O)F
• Isomeric SMILES: CN\1C2=C(C=CC(=C2)C#N)O/C1=C/C=C/C3=[N+](C4=C(O3)C=CC(=C4)C#N)C.[O-]S(=O)(=O)F

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