Cloxacillin sulfone

Base Information

• Chemical Name: Cloxacillin sulfone
• CAS No.: 76788-83-5
• Molecular Formula: C19H18 Cl N3 O7 S
• Molecular Weight: 467.88012
• DSSTox Substance ID: DTXSID20227595
• Wikidata: Q83107401
• Mol file: 76788-83-5.mol

Synonyms:6-(3-(2-chlorophenyl)-5-methyl-4-isoxazolyl)penicillin sulfone;cloxacillin sulfone

Chemical Property of Cloxacillin sulfone

Chemical Property:

• Vapor Pressure: 7.73E-26mmHg at 25°C
• Boiling Point: 783.3°C at 760 mmHg
• Flash Point: 427.5°C
• Density: 1.64g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 467.0553988
• Heavy Atom Count: 31
• Complexity: 905

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4(=O)=O)(C)C)C(=O)O
• Isomeric SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4(=O)=O)(C)C)C(=O)O