Basic information
- CAS
799782-38-0- Standard SMILES
COc1ccc(C)cc1-n1cnnn1- InChIKey
LABKRVKBDXYQNS-UHFFFAOYSA-N- Molecular formula
- C9H10N4O
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.08546096
Names & identifiers
- Preferred name
- 1-(2-methoxy-5-methylphenyl)-1H-tetrazole
- IUPAC
- 1-(2-methoxy-5-methylphenyl)tetrazole
Names & synonyms
1-(2-methoxy-5-methylphenyl)-1H-tetrazole1-(2-methoxy-5-methylphenyl)tetrazole799782-38-0MLS000769808CHEMBL1472000DTXSID101322517HMS2784F03STL337335AKOS022127855SMR0004345411-(2-Methoxy-5-methyl-phenyl)-1H-tetrazole
Database identifiers
- CAS
799782-38-0- PubChem CID
- 950841
- DTXSID
DTXSID101322517- ChEMBL
CHEMBL1472000
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
Solubility13.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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