Chlorojanerin

Base Information

• Chemical Name: Chlorojanerin
• CAS No.: 64205-85-2
• Deprecated CAS: 95672-94-9
• Molecular Formula: C19H23 Cl O7
• Molecular Weight: 398.84
• DSSTox Substance ID: DTXSID60982752
• Nikkaji Number: J2.351.585G
• Mol file: 64205-85-2.mol

Synonyms:chlorojanerin

Chemical Property of Chlorojanerin

Chemical Property:

• Vapor Pressure: 2.58E-17mmHg at 25°C
• Boiling Point: 607.9°C at 760 mmHg
• Flash Point: 321.4°C
• PSA: 113.29000
• Density: 1.4g/cm³
• LogP: 0.47130
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 398.1132308
• Heavy Atom Count: 27
• Complexity: 717

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C1CC(C2C(C3C1CC(C3(CCl)O)O)OC(=O)C2=C)OC(=O)C(=C)CO
• Isomeric SMILES: C=C1C[C@@H]([C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H]([C@@]3(CCl)O)O)OC(=O)C2=C)OC(=O)C(=C)CO