4-(5-phenyltriazol-1-yl)benzoic Acid
Basic information
- CAS
863668-78-4- Standard SMILES
O=C(O)c1ccc(-n2nncc2-c2ccccc2)cc1- InChIKey
IRPPVPLKGSBRRT-UHFFFAOYSA-N- Molecular formula
- C15H11N3O2
- Average molar mass
- 265.27 g/mol
- Monoisotopic mass
- 265.0851266
Names & identifiers
- Preferred name
- 4-(5-phenyltriazol-1-yl)benzoic Acid
- IUPAC
- 4-(5-phenyltriazol-1-yl)benzoic acid
Names & synonyms
4-(5-phenyl-1H-1,2,3-triazol-1-yl)benzoic acid863668-78-44-(5-Phenyl-[1,2,3]triazol-1-yl)-benzoic acid4-(5-phenyltriazol-1-yl)benzoic AcidMLS001172042CHEMBL1390059SCHEMBL28320335DTXSID401331195HMS2914N21STL119954AKOS005716333SMR000591372
Show more names
SR-01000074293SR-01000074293-1Z99599304
Database identifiers
- CAS
863668-78-4- PubChem CID
- 7996463
- DTXSID
DTXSID401331195- ChEMBL
CHEMBL1390059
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Solubility16.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…