Basic information
- CAS
1146135-78-5- Standard SMILES
CCc1[nH]nc2cc(F)ccc12- InChIKey
ICWGBAFJCUHSHX-UHFFFAOYSA-N- Molecular formula
- C9H9FN2
- Average molar mass
- 164.18 g/mol
- Monoisotopic mass
- 164.07497646
Names & identifiers
- Preferred name
- 3-Ethyl-6-fluoro-1H-indazole
- IUPAC
- 3-ethyl-6-fluoro-2H-indazole
- English name
- 3-ETHYL-6-FLUORO-1H-INDAZOLE
- Molecular formula
- C9H9FN2
- Molecular weight
- 164.18
Names & synonyms
3-Ethyl-6-fluoro-1H-indazole1146135-78-53-ethyl-6-fluoro-2H-indazole259750-59-9SCHEMBL5677771SCHEMBL151348561H-Indazole,3-ethyl-6-fluoro-(9CI)DB-4110422H-Indazole, 3-ethyl-6-fluoro-
Database identifiers
- CAS
1146135-78-5- PubChem CID
- 18546211
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 160.8 · 160.8±33.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 13.44 · 13.44±0.30(Predicted)
Chemistry & industry
Suppliers1 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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