2,4,6-Tribromo-5-hydroxycyclohepta-2,4,6-trien-1-one
Basic information
- CAS
20168-18-7- Standard SMILES
O=c1cc(Br)c(O)c(Br)cc1Br- InChIKey
CVYAQNAYPPNEDZ-UHFFFAOYSA-N- Molecular formula
- C7H3Br3O2
- Average molar mass
- 358.81 g/mol
- Monoisotopic mass
- 355.76832
Names & identifiers
- Preferred name
- 2,4,6-Tribromo-5-hydroxycyclohepta-2,4,6-trien-1-one
- IUPAC
- 2,4,6-tribromo-5-hydroxycyclohepta-2,4,6-trien-1-one
Names & synonyms
MLS00263900920168-18-72,4,6-tribromo-5-hydroxycyclohepta-2,4,6-trien-1-oneNSC24693CHEMBL1703082DTXSID10282138HMS3093M14NSC-24693SMR001548465
Database identifiers
- CAS
20168-18-7- PubChem CID
- 230133
- DTXSID
DTXSID10282138- ChEMBL
CHEMBL1703082
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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