Basic information
- Standard SMILES
COC(=O)c1c(C(=O)CBr)cccc1[N+](=O)[O-]- InChIKey
PXOUTSWRYHGKLD-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO5
- Average molar mass
- 302.08 g/mol
Names & identifiers
- Preferred name
- 2-(2-Bromoacetyl)-6-nitro-benzoic acid methyl ester
- IUPAC
- methyl 2-(2-bromoacetyl)-6-nitrobenzoate
Names & synonyms
145736-88-52-(2-bromoacetyl)-6-nitro-benzoic acid methyl esterSCHEMBL4408581PXOUTSWRYHGKLD-UHFFFAOYSA-NDA-101772-(2-bromo-acetyl)-6-nitro-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 59644397
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Related reactions
3 records
Compound notes
Loading…