Basic information
- CAS
1019117-38-4- Standard SMILES
Cc1oc(Br)c(C#N)c1C- InChIKey
QMSBCOYZUGWGHS-UHFFFAOYSA-N- Molecular formula
- C7H6BrNO
- Average molar mass
- 200.03 g/mol
- Monoisotopic mass
- 198.96328
Names & identifiers
- Preferred name
- 2-Bromo-4,5-dimethyl-3-furancarbonitrile
- IUPAC
- 2-bromo-4,5-dimethylfuran-3-carbonitrile
Names & synonyms
DTXSID8012739932-Bromo-4,5-dimethyl-3-furancarbonitrile2-Bromo-4,5-dimethylfuran-3-carbonitrile1019117-38-4
Database identifiers
- CAS
1019117-38-4- PubChem CID
- 165356830
- DTXSID
DTXSID801273993
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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