1,4,5,6,7,7-Hexabromobicyclo[2.2.1]hept-5-ene-2-carboxylic acid

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Basic information

CAS: 14362-06-2
Standard SMILES: O=C(O)C1CC2(Br)C(Br)=C(Br)C1(Br)C2(Br)Br
InChIKey: CVMNXPGLNRDDTA-UHFFFAOYSA-N
Molecular formula: C8H4Br6O2
Average molar mass: 611.5 g/mol
Monoisotopic mass: 605.53115

Names & identifiers

Preferred name: 1,4,5,6,7,7-Hexabromobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
IUPAC: 1,4,5,6,7,7-hexabromobicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Names & synonyms

14362-06-21,4,5,6,7,7-hexabromobicyclo[2.2.1]hept-5-ene-2-carboxylic acidNSC1333581,2,3,4,7,7-hexabromobicyclo[2.2.1]hept-2-ene-5-carboxylic acidDTXSID80931969NSC-133358

Database identifiers

CAS: 14362-06-2
PubChem CID: 280941
DTXSID: DTXSID80931969

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 419

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Compound notes

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