Basic information
- Standard SMILES
O=C(NCCO)c1cc(Br)c(O)c([N+](=O)[O-])c1- InChIKey
XILIUJLGBZNOQY-UHFFFAOYSA-N- Molecular formula
- C9H9BrN2O5
- Average molar mass
- 305.08 g/mol
- Monoisotopic mass
- 303.96948
Names & identifiers
- Preferred name
- 3-bromo-4-hydroxy-N-(2-hydroxyethyl)-5-nitrobenzamide
- IUPAC
- 3-bromo-4-hydroxy-N-(2-hydroxyethyl)-5-nitrobenzamide
Names & synonyms
3-bromo-4-hydroxy-N-(2-hydroxyethyl)-5-nitrobenzamideSCHEMBL9705635XILIUJLGBZNOQY-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20064086
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Related reactions
3 records
Compound notes
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