(2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one

Base Information

• Chemical Name: (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one
• CAS No.: 195392-54-2
• Molecular Formula: C8H6Br2O3
• Molecular Weight: 309.942
• DSSTox Substance ID: DTXSID20433917
• Nikkaji Number: J3.009.773D
• Wikidata: Q82248193
• ChEMBL ID: CHEMBL390138
• Mol file: 195392-54-2.mol

Synonyms:195392-54-2;(2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one;CHEMBL390138;DTXSID20433917;(3S)-5,7-DIBROMO-6-METHOXY-1-OXASPIRO[2.5]OCTA-5,7-DIEN-4-ONE

Chemical Property of (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 309.86632
• Heavy Atom Count: 13
• Complexity: 345

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=O)C2(CO2)C=C1Br)Br
• Isomeric SMILES: COC1=C(C(=O)[C@@]2(CO2)C=C1Br)Br