2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester
Basic information
- Standard SMILES
CCOC(=O)c1nnn(-c2cccc(Cl)c2)n1- InChIKey
BFKQKRPAXTWNQJ-UHFFFAOYSA-N- Molecular formula
- C10H9ClN4O2
- Average molar mass
- 252.66 g/mol
- Monoisotopic mass
- 252.0414032
Names & identifiers
- Preferred name
- 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester
- IUPAC
- ethyl 2-(3-chlorophenyl)tetrazole-5-carboxylate
Names & synonyms
55044-76-32-(3-Chloro-phenyl)-2H-tetrazole-5-carboxylic acid ethyl esterSCHEMBL150197912-(3-Chlorophenyl)-2H-tetrazole-5-carboxylic acid ethyl ester2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl esterDB-323280Ethyl 2-(3-chlorophenyl)-2H-tetraazole-5-carboxylate #
Database identifiers
- PubChem CID
- 574534
- Nikkaji
- J103.547I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
2 records
Compound notes
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