Basic information
- Standard SMILES
Oc1cc(F)c2c(Cl)n[nH]c2c1- InChIKey
FYICXFYUYHDQQL-UHFFFAOYSA-N- Molecular formula
- C7H4ClFN2O
- Average molar mass
- 186.57 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-fluoro-1H-indazol-6-ol
- IUPAC
- 3-chloro-4-fluoro-2H-indazol-6-ol
- English name
- 4-Fluoro-6-hydroxy-3-chloro (1H)indazole
- Molecular formula
- C7H4ClFN2O
- Molecular weight
- 186.57
Names & synonyms
3-Chloro-4-fluoro-1H-indazol-6-ol887569-25-73-chloro-4-fluoro-2H-indazol-6-olRJB40968AKOS0062844211H-Indazol-6-ol, 3-chloro-4-fluoro-4-Fluoro-6-hydroxy-3-chloro (1H)indazole
Database identifiers
- CAS
887569-25-7
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 408.1 · 408.1±40.0 °C(Predicted)
- Density
- 1.7 · 1.700±0.06 g/cm3(Predicted)
- pka
- 8.03 · 8.03±0.40(Predicted)
Chemistry & industry
Suppliers2 total
南京凯姆铂医药科技有限公司025-66162170
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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