Ethyl 6-methyl-1,2,4-benzotriazine-3-carboxylate
Basic information
- CAS
99844-16-3- Standard SMILES
CCOC(=O)c1nnc2ccc(C)cc2n1- InChIKey
IJYLQECEYSNSGX-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- Ethyl 6-methyl-1,2,4-benzotriazine-3-carboxylate
- IUPAC
- ethyl 6-methyl-1,2,4-benzotriazine-3-carboxylate
Names & synonyms
DTXSID10123930899844-16-3ethyl 6-methyl-1,2,4-benzotriazine-3-carboxylate
Database identifiers
- CAS
99844-16-3- PubChem CID
- 33736458
- DTXSID
DTXSID101239308
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
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Compound notes
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