4-Bromo-3-(difluoromethoxy)-2-fluorobenzoic acid
Basic information
- CAS
194804-93-8- Standard SMILES
O=C(O)c1ccc(Br)c(OC(F)F)c1F- InChIKey
QCRDWXUGKWOHMC-UHFFFAOYSA-N- Molecular formula
- C8H4BrF3O3
- Average molar mass
- 285.01 g/mol
- Monoisotopic mass
- 283.92959
Names & identifiers
- Preferred name
- 4-Bromo-3-(difluoromethoxy)-2-fluorobenzoic acid
- IUPAC
- 4-bromo-3-(difluoromethoxy)-2-fluorobenzoic acid
Names & synonyms
4-bromo-3-(difluoromethoxy)-2-fluorobenzoic acid194804-93-8RefChem:290817SCHEMBL7499376QCRDWXUGKWOHMC-UHFFFAOYSA-NDTXSID501236275
Database identifiers
- CAS
194804-93-8- PubChem CID
- 19358349
- DTXSID
DTXSID501236275
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
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Compound notes
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