3-Chloro-2-fluoro-4-hydroxybenzoic acid
Basic information
- CAS
860296-15-7- Standard SMILES
O=C(O)c1ccc(O)c(Cl)c1F- InChIKey
DQHFMFNAWOVOLE-UHFFFAOYSA-N- Molecular formula
- C7H4ClFO3
- Average molar mass
- 190.55 g/mol
- Monoisotopic mass
- 189.9832998
Names & identifiers
- Preferred name
- 3-Chloro-2-fluoro-4-hydroxybenzoic acid
- IUPAC
- 3-chloro-2-fluoro-4-hydroxybenzoic acid
- English name
- 3-Chloro-2-fluoro-4-hydroxybenzoic acid
- Molecular formula
- C7H4ClFO3
- Molecular weight
- 190.56
Names & synonyms
3-chloro-2-fluoro-4-hydroxybenzoic acid860296-15-7Benzoic acid, 3-chloro-2-fluoro-4-hydroxy-DTXSID201280685AKOS016038587
Database identifiers
- CAS
860296-15-7- PubChem CID
- 11735652
- DTXSID
DTXSID201280685
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 192 · 192-194 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling point
- 332.8 · 332.8±42.0 °C(Predicted)
- Density
- 1.634 · 1.634±0.06 g/cm3(Predicted)
- pka
- 3.27 · 3.27±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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