Basic information
- CAS
66946-82-5- Standard SMILES
Cc1[nH]c2ccccc2c1F- InChIKey
IIPVOCGAPMWTSR-UHFFFAOYSA-N- Molecular formula
- C9H8FN
- Average molar mass
- 149.16 g/mol
- Monoisotopic mass
- 149.06407742
Names & identifiers
- Preferred name
- 3-Fluoro-2-methyl-1H-indole
- IUPAC
- 3-fluoro-2-methyl-1H-indole
- English name
- 1H-Indole,3-fluoro-2-methyl-(9CI)
- Molecular formula
- C9H8FN
- Molecular weight
- 149.16
Names & synonyms
3-fluoro-2-methyl-1H-indole66946-82-5RefChem:2793641H-Indole,3-fluoro-2-methyl-(9CI)2-methyl-3-fluoroindoleSCHEMBL128131781H-Indole, 3-fluoro-2-methyl-DTXSID901309903AKOS006306022DB-267743
Database identifiers
- CAS
66946-82-5- PubChem CID
- 12377727
- DTXSID
DTXSID901309903
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 89 · 89-90 °C(Solv: hexane (110-54-3))
- Boiling point
- 268.2 · 268.2±20.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- pka
- 16.12 · 16.12±0.30(Predicted)
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…