Basic information
- CAS
81265-70-5- Standard SMILES
CC(C)(C(=O)O)c1ccc(-n2cc3ccccc3n2)cc1- InChIKey
QMPDHRCWFVSVRW-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Names & identifiers
- Preferred name
- Propionic acid, 2-(p-(2H-indazol-2-yl)phenyl)-2-methyl-
- IUPAC
- 2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid
- English name
- 2-(p-(2H-Indazol-2-yl)phenyl)-2-methylpropionic acid
- Molecular formula
- C17H16N2O2
- Molecular weight
- 280.32
Names & synonyms
81265-70-5M.G. 18869Propionic acid, 2-(p-(2H-indazol-2-yl)phenyl)-2-methyl-2-(p-(2H-Indazol-2-yl)phenyl)-2-methylpropionic acidDTXSID40231018RefChem:375168DTXCID401535092-(p-(2h-indazol-2-yl)phenyl)-2-methylpropanoic acid2-[4-(2H-indazol-2-yl)phenyl]-2-methylpropanoic acidBenzeneacetic acid, 4-(2H-indazol-2-yl)-α,α-dimethyl-
Database identifiers
- CAS
81265-70-5- PubChem CID
- 3067331
- DTXSID
DTXSID40231018- Nikkaji
- J71.052K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 370.8 · 370.8±34.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 4.17 · 4.17±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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