3,6-Dimethyl-1H-indazole
Basic information
- CAS
7746-28-3- Standard SMILES
Cc1ccc2c(C)[nH]nc2c1- InChIKey
YELUYTLFUPWAIQ-UHFFFAOYSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.08439833
Names & identifiers
- Preferred name
- 3,6-Dimethyl-1H-indazole
- IUPAC
- 3,6-dimethyl-2H-indazole
- English name
- 1H-Indazole, 3,6-dimethyl-
- Molecular formula
- C9H10N2
- Molecular weight
- 146.19
Names & synonyms
3,6-Dimethyl-1H-indazole7746-28-33,6-dimethyl-2H-indazole1H-Indazole, 3,6-dimethyl-SCHEMBL122471H-indazole, 3,6-dimethyl3,6-Dimethyl-1H-indazole #SCHEMBL13154871SCHEMBL31552439DTXSID80343442YELUYTLFUPWAIQ-UHFFFAOYSA-N
Database identifiers
- CAS
7746-28-3- PubChem CID
- 589741
- DTXSID
DTXSID80343442
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 148 · 148-149 °C
- Boiling point
- 297.4 · 297.4±9.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- pka
- 14.86 · 14.86±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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