Basic information
- Standard SMILES
O=[N+]([O-])C(Br)C(O)c1ccco1- InChIKey
IOBCHNUJJNAVMA-UHFFFAOYSA-N- Molecular formula
- C6H6BrNO4
- Average molar mass
- 236.02 g/mol
- Monoisotopic mass
- 234.94802
Names & identifiers
- Preferred name
- 2-Bromo-1-(2-furyl)-2-nitroethanol
- IUPAC
- 2-bromo-1-(furan-2-yl)-2-nitroethanol
Names & synonyms
SCHEMBL6343589IOBCHNUJJNAVMA-UHFFFAOYSA-N2-Bromo-1-(2-furyl)-2-nitroethanol
Database identifiers
- PubChem CID
- 11118020
- Nikkaji
- J1.188.466K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Related reactions
1 records
Compound notes
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