2H-Indazole, 2-(3-methoxyphenyl)-
Basic information
- CAS
81265-89-6- Standard SMILES
COc1cccc(-n2cc3ccccc3n2)c1- InChIKey
JNQANLFHMOCZAS-UHFFFAOYSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- 2H-Indazole, 2-(3-methoxyphenyl)-
- IUPAC
- 2-(3-methoxyphenyl)indazole
- English name
- 2-(3-Methoxyphenyl)-2H-indazole
- Molecular formula
- C14H12N2O
- Molecular weight
- 224.26
Names & synonyms
2-(3-Methoxyphenyl)-2H-indazole2H-Indazole, 2-(3-methoxyphenyl)-M.G. 18843DTXSID10231025RefChem:268654DTXCID1015351681265-89-62-(3-methoxyphenyl)indazoleSCHEMBL28541224SCHEMBL29472984
Database identifiers
- CAS
81265-89-6- PubChem CID
- 3067342
- DTXSID
DTXSID10231025- Nikkaji
- J3.070.575K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 283.2 · 283.2±32.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 0.45 · 0.45±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…