1-(2-Fluoro-3-methoxyphenyl)-5-methoxy-1H-1,2,3-triazole-4-carboxylic acid
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Basic information
- Standard SMILES
COc1cccc(-n2nnc(C(=O)O)c2OC)c1F- InChIKey
HWAIMIFWVIQEOL-UHFFFAOYSA-N- Molecular formula
- C11H10FN3O4
- Average molar mass
- 267.21 g/mol
Names & identifiers
- Preferred name
- 1-(2-Fluoro-3-methoxyphenyl)-5-methoxy-1H-1,2,3-triazole-4-carboxylic acid
- IUPAC
- 1-(2-fluoro-3-methoxyphenyl)-5-methoxytriazole-4-carboxylic acid
Names & synonyms
SCHEMBL14692593HWAIMIFWVIQEOL-UHFFFAOYSA-N1-(2-Fluoro-3-methoxyphenyl)-5-methoxy-1H-1,2,3-triazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 71255705
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
1 records
Compound notes
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