Basic information
- Standard SMILES
CCOC(=O)c1ccc([N+](=O)[O-])c(CBr)c1- InChIKey
BFFPOZXXOFIIQV-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO4
- Average molar mass
- 288.09 g/mol
Names & identifiers
- Preferred name
- 3-Bromomethyl-4-nitro-benzoic acid ethyl ester
- IUPAC
- ethyl 3-(bromomethyl)-4-nitrobenzoate
Names & synonyms
86400-51-33-bromomethyl-4-nitro-benzoic acid ethyl esterethyl 3-(bromomethyl)-4-nitrobenzoateBenzoic acid,3-(bromomethyl)-4-nitro-,ethyl esterSCHEMBL4297094BFFPOZXXOFIIQV-UHFFFAOYSA-Nethyl 4-nitro-3-bromomethylbenzoateDB-366311
Database identifiers
- PubChem CID
- 13077445
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Related reactions
15 records
Compound notes
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