11beta-Chloromethylestradiol

Base Information

• Chemical Name: 11beta-Chloromethylestradiol
• CAS No.: 71794-60-0
• Molecular Formula: C19H25 Cl O2
• Molecular Weight: 320.85
• UNII: BRP4DW4SEE
• DSSTox Substance ID: DTXSID40992450
• Nikkaji Number: J945.320B
• Wikipedia: 11%CE%B2-Chloromethylestradiol
• Wikidata: Q27115844
• ChEMBL ID: CHEMBL175602
• Mol file: 71794-60-0.mol

Synonyms:11 beta-chloromethylestradiol;11-beta-chloromethyl-estradiol;Org 4333;Org-4333

Chemical Property of 11beta-Chloromethylestradiol

Chemical Property:

• Vapor Pressure: 1.54E-10mmHg at 25°C
• Boiling Point: 493.1°C at 760 mmHg
• Flash Point: 252°C
• PSA: 40.46000
• Density: 1.21g/cm³
• LogP: 4.07410
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 320.1543077
• Heavy Atom Count: 22
• Complexity: 428

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC12CC(C3C(C1CCC2O)CCC4=C3C=CC(=C4)O)CCl
• Isomeric SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O)CCl

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