2-Bromo-3-fluoro-4,6-dimethylaniline
Basic information
- CAS
444-02-0- Standard SMILES
Cc1cc(C)c(F)c(Br)c1N- InChIKey
XBOBKAUHRIOAJO-UHFFFAOYSA-N- Molecular formula
- C8H9BrFN
- Average molar mass
- 218.07 g/mol
- Monoisotopic mass
- 216.99024
Names & identifiers
- Preferred name
- 2-Bromo-3-fluoro-4,6-dimethylaniline
- IUPAC
- 2-bromo-3-fluoro-4,6-dimethylaniline
Names & synonyms
444-02-02-bromo-3-fluoro-4,6-dimethylanilineNSC159249DTXSID70303595NSC-159249
Database identifiers
- CAS
444-02-0- PubChem CID
- 292973
- DTXSID
DTXSID70303595
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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