| CAS Number | 956723-00-5 |
| Catalog Number | AG01DT2E |
| Chemical Name | 2-fluoro-5-(1H-pyrazol-3-yl)benzoic acid |
| IUPAC Name | 2-fluoro-5-(1H-pyrazol-5-yl)benzoic acid |
| InChI | InChI=1S/C10H7FN2O2/c11-8-2-1-6(5-7(8)10(14)15)9-3-4-12-13-9/h1-5H,(H,12,13)(H,14,15) |
| InChI Key | BHCDKIFOFUMDBN-UHFFFAOYSA-N |
| MDL Number | MFCD24498960 |
| Molecular Formula | C10H7FN2O2 |
| Molecular Weight | 206.1732 |
| SMILES | OC(C1=C(F)C=CC(C2=NNC=C2)=C1)=O |
| Synonyms | 2-Fluoro-5-(1H-pyrazol-3-yl)benzoic acid,
SCHEMBL4515506,
BHCDKIFOFUMDBN-UHFFFAOYSA-N,
956723-00-5,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.176g/mol |
| Monoisotopic Mass | 206.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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