Agn-PC-0LP5OX
Basic information
- CAS
7235-17-8- Standard SMILES
O=C1C(Br)=CC2CC3CC(=O)C3C12- InChIKey
TTYMWIMMEBJJDS-UHFFFAOYSA-N- Molecular formula
- C10H9BrO2
- Average molar mass
- 241.08 g/mol
- Monoisotopic mass
- 239.97859
Names & identifiers
- Preferred name
- Agn-PC-0LP5OX
- IUPAC
- 9-bromotricyclo[5.3.0.02,5]dec-8-ene-3,10-dione
Names & synonyms
7235-17-8AGN-PC-0LP5OXDTXSID604132934-bromo-1,2a,2b,5a,6,6a-hexahydrocyclobuta[a]pentalene-2,3-dione
Database identifiers
- CAS
7235-17-8- PubChem CID
- 5250786
- DTXSID
DTXSID60413293
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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