CID 7019378

Base Information

• Chemical Name: CID 7019378
• CAS No.: 213889-44-2
• Molecular Formula: C10H13 N O2 S . Cl H
• Molecular Weight: 211.2807
• DSSTox Substance ID: DTXSID80427110

Synonyms:ZINC02559040;DTXSID80427110;213889-44-2

Chemical Property of CID 7019378

Chemical Property:

• Vapor Pressure: 5.92E-06mmHg at 25°C
• Boiling Point: 364.5°Cat760mmHg
• Flash Point: 174.3°C
• Density: 1.24g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 211.06669983
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C(C(=O)[O-])[NH3+])SC1=CC=CC=C1
• Isomeric SMILES: C[C@@H]([C@@H](C(=O)[O-])[NH3+])SC1=CC=CC=C1

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