3-methoxy-4-((1-phenyl-1H-tetrazol-5-yl)oxy)benzaldehyde
Basic information
- CAS
724755-47-9- Standard SMILES
COc1cc(C=O)ccc1Oc1nnnn1-c1ccccc1- InChIKey
OEPJPTAWNNFNIP-UHFFFAOYSA-N- Molecular formula
- C15H12N4O3
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.09094026
Names & identifiers
- Preferred name
- 3-methoxy-4-((1-phenyl-1H-tetrazol-5-yl)oxy)benzaldehyde
- IUPAC
- 3-methoxy-4-(1-phenyltetrazol-5-yl)oxybenzaldehyde
- English name
- 3-Methoxy-4-((1-phenyl-1H-tetrazol-5-yl)oxy)benzaldehyde
- Molecular formula
- C15H12N4O3
- Molecular weight
- 296.28
Names & synonyms
724755-47-93-methoxy-4-((1-phenyl-1H-tetrazol-5-yl)oxy)benzaldehyde3-methoxy-4-(1-phenyltetrazol-5-yl)oxybenzaldehyde3-Methoxy-4-(1-phenyl-1H-tetrazol-5-yloxy)-benzaldehyde3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]benzaldehyde3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]benzaldehydeNSC707834MLS000333337CHEMBL1348088DTXSID801332214HMS2809O19BBL013193
Show more names
Benzaldehyde, 3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]-
MFCD03942488STK803595AKOS001477836NSC-707834NCI60_038273SMR000436664VS-03699CS-0359889
Database identifiers
- CAS
724755-47-9- PubChem CID
- 398233
- DTXSID
DTXSID801332214- ChEMBL
CHEMBL1348088
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 365
Experimental & physicochemical properties
Solubility7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 515.4 · 515.4±60.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -0.01 · -0.01±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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