cis-Cyclohexa-1,4-diene oxide dibromide

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Basic information

CAS: 39573-55-2
Standard SMILES: Br[C@@H]1C=C[C@H](Br)[C@H]2O[C@H]21
InChIKey: GURHZMLRKGTKKO-GUCUJZIJSA-N
Molecular formula: C6H6Br2O
Average molar mass: 253.92 g/mol
Monoisotopic mass: 251.87854

Names & identifiers

Preferred name: cis-Cyclohexa-1,4-diene oxide dibromide
IUPAC: (1S,2S,5R,6R)-2,5-dibromo-7-oxabicyclo[4.1.0]hept-3-ene

Names & synonyms

(S)-2-(4-(2,4-Dichlorophenoxy)butanamido)-3-(1H-indol-3-yl)propanoic acidBRN 4230787cis-Cyclohexa-1,4-diene oxide dibromidecis-2,5-Dibromo-7-oxabicyclo(4.1.0)hept-3-ene7-Oxabicyclo(4.1.0)hept-3-ene, 2,5-dibromo-, cis-39573-55-2GURHZMLRKGTKKO-GUCUJZIJSA-InChI=1/C6H6Br2O/c7-3-1-2-4(8)6-5(3)9-6/h1-6H/t3-,4+,5+,6-

Database identifiers

CAS: 39573-55-2
PubChem CID: 217757

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 141

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Compound notes

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