Basic information
- CAS
2491-97-6- Standard SMILES
Oc1ccc(Br)cc1-c1nnc(-c2cc(Br)ccc2O)o1- InChIKey
LOIOFWBMNVCWJP-UHFFFAOYSA-N- Molecular formula
- C14H8Br2N2O3
- Average molar mass
- 412.03 g/mol
- Monoisotopic mass
- 409.89017
Names & identifiers
- Preferred name
- 6,6'-(1,3,4-Oxadiazolidine-2,5-diylidene)bis(4-bromocyclohexa-2,4-dien-1-one)
- IUPAC
- 4-bromo-2-[5-(5-bromo-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
Names & synonyms
2491-97-6DTXSID207807366,6'-(1,3,4-Oxadiazolidine-2,5-diylidene)bis(4-bromocyclohexa-2,4-dien-1-one)
Database identifiers
- CAS
2491-97-6- PubChem CID
- 136239705
- DTXSID
DTXSID20780736
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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