Basic information
- Standard SMILES
O=C1Cc2ccccc2C(=O)c2cc(Br)ccc2C1- InChIKey
NQSLVNIMXDXDRJ-UHFFFAOYSA-N- Molecular formula
- C16H11BrO2
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 313.99424
Names & identifiers
- Preferred name
- 2-Bromo-6,12-dioxo-5,6,7,12-tetrahydrodibenzo[a,d]cyclooctene
- IUPAC
- 5-bromotricyclo[10.4.0.03,8]hexadeca-1(16),3(8),4,6,12,14-hexaene-2,10-dione
Names & synonyms
SCHEMBL11140043NQSLVNIMXDXDRJ-UHFFFAOYSA-N2-bromo-6,12-dioxo-5,6,7,12-tetrahydrodibenzo[a,d]cyclooctene
Database identifiers
- PubChem CID
- 15580927
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Related reactions
4 records
Compound notes
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