Basic information
- CAS
36174-08-0- Standard SMILES
O=C(Oc1ccc2c(cnn2C(=O)c2ccccc2)c1)c1ccccc1- InChIKey
QVOLYJIKHKMZNB-UHFFFAOYSA-N- Molecular formula
- C21H14N2O3
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.10044231
Names & identifiers
- Preferred name
- 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester)
- IUPAC
- (1-benzoylindazol-5-yl) benzoate
Names & synonyms
36174-08-0Benzoyl-1 benzoyloxy-5 indazole [French]1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester)Benzoyl-1 benzoyloxy-5 indazole1-Benzoyl-1H-indazol-5-ol benzoate (ester)DTXSID60189744RefChem:238328DTXCID201122351-benzoyl-1h-indazol-5-yl benzoate
Database identifiers
- CAS
36174-08-0- PubChem CID
- 215748
- DTXSID
DTXSID60189744
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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