Basic information
- CAS
922727-99-9- Standard SMILES
Oc1cc(Br)ccc1-c1nc2ccc(Br)cc2o1- InChIKey
DFSIRBLHDLNMLG-UHFFFAOYSA-N- Molecular formula
- C13H7Br2NO2
- Average molar mass
- 369.01 g/mol
- Monoisotopic mass
- 366.88435
Names & identifiers
- Preferred name
- 3-Bromo-6-(6-bromo-1,3-benzoxazol-2(3H)-ylidene)cyclohexa-2,4-dien-1-one
- IUPAC
- 5-bromo-2-(6-bromo-1,3-benzoxazol-2-yl)phenol
Names & synonyms
922727-99-9DTXSID908546903-Bromo-6-(6-bromo-1,3-benzoxazol-2(3H)-ylidene)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
922727-99-9- PubChem CID
- 136257906
- DTXSID
DTXSID90854690
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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