4-Bromo-6-(6-bromo-1,3-benzoxazol-2(3H)-ylidene)cyclohexa-2,4-dien-1-one
Basic information
- CAS
922727-98-8- Standard SMILES
Oc1ccc(Br)cc1-c1nc2ccc(Br)cc2o1- InChIKey
KISZCEGVLIXQIS-UHFFFAOYSA-N- Molecular formula
- C13H7Br2NO2
- Average molar mass
- 369.01 g/mol
- Monoisotopic mass
- 366.88435
Names & identifiers
- Preferred name
- 4-Bromo-6-(6-bromo-1,3-benzoxazol-2(3H)-ylidene)cyclohexa-2,4-dien-1-one
- IUPAC
- 4-bromo-2-(6-bromo-1,3-benzoxazol-2-yl)phenol
Names & synonyms
922727-98-8DTXSID508546914-Bromo-6-(6-bromo-1,3-benzoxazol-2(3H)-ylidene)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
922727-98-8- PubChem CID
- 136257907
- DTXSID
DTXSID50854691
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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