Benzoic acid, p-(2H-indazol-2-yl)-
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Basic information
- CAS
81265-85-2- Standard SMILES
O=C(O)c1ccc(-n2cc3ccccc3n2)cc1- InChIKey
AUTJVELNICXKTK-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- Benzoic acid, p-(2H-indazol-2-yl)-
- IUPAC
- 4-indazol-2-ylbenzoic acid
- English name
- p-(2H-Indazol-2-yl)-benzoic acid
- Molecular formula
- C14H10N2O2
- Molecular weight
- 238.24
Names & synonyms
81265-85-2BENZOIC ACID, p-(2H-INDAZOL-2-YL)-M.G. 18878p-(2H-Indazol-2-yl)-benzoic acidDTXSID70231021RefChem:327821DTXCID701535124-indazol-2-ylbenzoic acidp-(2h-indazol-2-yl)benzoic acid4-(2H-indazol-2-yl)benzoic acid4-indazol-2-yl-benzoic acidSCHEMBL3668881
Show more names
Benzoic acid, 4-(2H-indazol-2-yl)-
AUTJVELNICXKTK-UHFFFAOYSA-N
Database identifiers
- CAS
81265-85-2- PubChem CID
- 54730
- DTXSID
DTXSID70231021- Nikkaji
- J87.221K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 336.4 · 336.4±34.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 3.8 · 3.80±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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