SpectraBase Compound ID | 6qxJE9BOrDj |
---|---|
InChI | InChI=1S/C10H8FN3O2/c11-6-1-3-7(4-2-6)14-9(12)8(5-13-14)10(15)16/h1-5H,12H2,(H,15,16) |
InChIKey | MZPQLGKWWLMKEO-UHFFFAOYSA-N |
Mol Weight | 221.19 g/mol |
Molecular Formula | C10H8FN3O2 |
Exact Mass | 221.060055 g/mol |
SpectraBase Spectrum ID | EPcFNOIPFvS |
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Name | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 221.060054671 u |
Formula | C10H8FN3O2 |
InChI | InChI=1S/C10H8FN3O2/c11-6-1-3-7(4-2-6)14-9(12)8(5-13-14)10(15)16/h1-5H,12H2,(H,15,16) |
InChIKey | MZPQLGKWWLMKEO-UHFFFAOYSA-N |
Molecular Weight | 221.191 g/mol |
SMILES | C1=C(C=CC(=C1)F)N1C(=C(C(O)=O)C=N1)N |