ethyl 2-(2H-tetrazol-5-yl)benzoate
Basic information
- Standard SMILES
CCOC(=O)c1ccccc1-c1nn[nH]n1- InChIKey
HSFNILNJWQBPOR-UHFFFAOYSA-N- Molecular formula
- C10H10N4O2
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.08037557
Names & identifiers
- Preferred name
- ethyl 2-(2H-tetrazol-5-yl)benzoate
- IUPAC
- ethyl 2-(2H-tetrazol-5-yl)benzoate
Names & synonyms
ethyl 2-(2H-tetrazol-5-yl)benzoateEthyl o-(5-tetrazolyl)benzoateSCHEMBL7023563Ethyl 2-(1H-tetraazol-5-yl)benzoate #
Database identifiers
- PubChem CID
- 583755
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
3 records
Compound notes
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