4-Bromo-6-fluoro-5-methyl-1H-indazole
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Basic information
- CAS
2241720-66-9- Standard SMILES
Cc1c(F)cc2[nH]ncc2c1Br- InChIKey
KTVXLJRLCJULLL-UHFFFAOYSA-N- Molecular formula
- C8H6BrFN2
- Average molar mass
- 229.05 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-6-fluoro-5-methyl-1H-indazole
- IUPAC
- 4-bromo-6-fluoro-5-methyl-1H-indazole
- English name
- 1H-Indazole, 4-bromo-6-fluoro-5-methyl-
- Molecular formula
- C8H6BrFN2
- Molecular weight
- 229.05
Names & synonyms
4-Bromo-6-fluoro-5-methyl-1H-indazole2241720-66-9MFCD35057365SCHEMBL21379129SCHEMBL30641259AS-97828SY3255571H-Indazole, 4-bromo-6-fluoro-5-methyl-DB-412419F93371F785959
Database identifiers
- CAS
2241720-66-9
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 341.7 · 341.7±37.0 °C(Predicted)
- Density
- 1.738 · 1.738±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 12.22 · 12.22±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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