2,2,2-Trifluoroethyl 1,2,3-benzothiadiazole-7-carboxylate

Base Information

• Chemical Name: 2,2,2-Trifluoroethyl 1,2,3-benzothiadiazole-7-carboxylate
• CAS No.: 864237-81-0
• Molecular Formula: C9H5F3N2O2S
• Molecular Weight: 262.20800
• DSSTox Substance ID: DTXSID40582133
• Wikidata: Q82473459

Synonyms:2,2,2-Trifluoroethyl 1,2,3-benzothiadiazole-7-carboxylate;864237-81-0;Fuzuohuohuazhi;SCHEMBL2450013;DTXSID40582133;QIMRGIBYPSZWFJ-UHFFFAOYSA-N;2,2,2-trifluoroethyl benzo-1,2,3-thiadiazole-7-carboxylate

Chemical Property of 2,2,2-Trifluoroethyl 1,2,3-benzothiadiazole-7-carboxylate

Chemical Property:

• PSA: 80.32000
• LogP: 2.41040
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 262.00238307
• Heavy Atom Count: 17
• Complexity: 301

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1)N=NS2)C(=O)OCC(F)(F)F

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