3-(4-Chlorophenyl)-3,5-cyclohexadiene-1beta,2beta-diol

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-3,5-cyclohexadiene-1beta,2beta-diol
• CAS No.: 119386-12-8
• Molecular Formula: C12H11 Cl O2
• Molecular Weight: 222.6675
• DSSTox Substance ID: DTXSID801191571
• Nikkaji Number: J2.762.454E
• Mol file: 119386-12-8.mol

Synonyms:SCHEMBL2931007;DTXSID801191571;119386-12-8;3-(4-Chlorophenyl)-3,5-cyclohexadiene-1beta,2beta-diol;rel-(1R,2S)-3-(4-Chlorophenyl)-3,5-cyclohexadiene-1,2-diol

Chemical Property of 3-(4-Chlorophenyl)-3,5-cyclohexadiene-1beta,2beta-diol

Chemical Property:

• Vapor Pressure: 1.8E-06mmHg at 25°C
• Boiling Point: 380.6°Cat760mmHg
• Flash Point: 184°C
• Density: 1.381g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 222.0447573
• Heavy Atom Count: 15
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(C(C(=C1)C2=CC=C(C=C2)Cl)O)O
• Isomeric SMILES: C1=C[C@H]([C@H](C(=C1)C2=CC=C(C=C2)Cl)O)O