4,4,8,8-Tetrabromotricyclo[5.1.0.03,5]octane

HCID 290664

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Basic information

CAS: 90528-07-7
Standard SMILES: BrC1(Br)C2CC3C(CC21)C3(Br)Br
InChIKey: USRKBDHJSJGLJJ-UHFFFAOYSA-N
Molecular formula: C8H8Br4
Average molar mass: 423.76 g/mol
Monoisotopic mass: 419.73595

Names & identifiers

Preferred name: 4,4,8,8-Tetrabromotricyclo[5.1.0.03,5]octane
IUPAC: 4,4,8,8-tetrabromotricyclo[5.1.0.03,5]octane

Names & synonyms

90528-07-74,4,8,8-tetrabromotricyclo[5.1.0.03,5]octane4,4,8,8-tetrabromotricyclo[5.1.0.0~3,5~]octaneNSC154771DTXSID80302872STL322648AKOS022095439NSC-1547714,4,8,8-tetrabromotricyclo[5.1.0.0(3,5)]octane

Database identifiers

CAS: 90528-07-7
PubChem CID: 290664
DTXSID: DTXSID80302872
Nikkaji: J1.094.912B

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 201

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