Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(C(F)(F)C(F)(F)F)c(CBr)c1- InChIKey
MDCAADVYHDVPFC-UHFFFAOYSA-N- Molecular formula
- C9H5BrF5NO2
- Average molar mass
- 334.04 g/mol
Names & identifiers
- Preferred name
- 2-Bromomethyl-4-nitro-1-pentafluoroethyl-benzene
- IUPAC
- 2-(bromomethyl)-4-nitro-1-(1,1,2,2,2-pentafluoroethyl)benzene
Names & synonyms
2-Bromomethyl-4-nitro-1-pentafluoroethyl-benzeneSCHEMBL447203
Database identifiers
- PubChem CID
- 21959367
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Related reactions
10 records
Compound notes
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