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Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1nnc2cc(C=O)ccc21- InChIKey
YYXYUGUATOIORB-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 5-formyl-1H-benzo[d][1,2,3]triazole-1-carboxylate
- IUPAC
- tert-butyl 5-formylbenzotriazole-1-carboxylate
Names & synonyms
tert-Butyl 5-formyl-1H-benzo[d][1,2,3]triazole-1-carboxylate354587-73-8SCHEMBL7230425YYXYUGUATOIORB-UHFFFAOYSA-NDB-1740131-(1,1-dimethylethoxycarbonyl)-1H-benzotriazole-5-carboxaldehyde
Database identifiers
- PubChem CID
- 11637374
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 340
Related reactions
2 records
Compound notes
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