(3aS,4S,6S,7aR)-2-[(1S)-1-Chloroethyl]hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole

Base Information

• Chemical Name: (3aS,4S,6S,7aR)-2-[(1S)-1-Chloroethyl]hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole
• CAS No.: 85167-12-0
• Molecular Formula: C₁₂H₂₀BClO₂
• Molecular Weight: 242.554
• DSSTox Substance ID: DTXSID801114222

Synonyms:DTXSID801114222;(3aS,4S,6S,7aR)-2-[(1S)-1-Chloroethyl]hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole;85167-12-0

Chemical Property of (3aS,4S,6S,7aR)-2-[(1S)-1-Chloroethyl]hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 242.1244877
• Heavy Atom Count: 16
• Complexity: 322

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: B1(OC2CC3CC(C3(C)C)C2(O1)C)C(C)Cl
• Isomeric SMILES: B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@@H](C)Cl

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