| CAS Number | 1250500-78-7 |
| Catalog Number | AG01BS1M |
| Chemical Name | 5-amino-1-(2,4-difluorophenyl)-1H-pyrazol-3-ol |
| IUPAC Name | 3-amino-2-(2,4-difluorophenyl)-1H-pyrazol-5-one |
| InChI | InChI=1S/C9H7F2N3O/c10-5-1-2-7(6(11)3-5)14-8(12)4-9(15)13-14/h1-4H,12H2,(H,13,15) |
| InChI Key | WWKJCZGAJNIIMU-UHFFFAOYSA-N |
| MDL Number | MFCD14694600 |
| Molecular Formula | C9H7F2N3O |
| Molecular Weight | 211.1682 |
| SMILES | NC1N(C2=C(F)C=C(F)C=C2)N=C(O)C=1 |
| Synonyms | 5-amino-1-(2,4-difluorophenyl)-1H-pyrazol-3-ol,
1250500-78-7,
ZINC40907092,
AKOS010514373,
Z2739025447,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.172g/mol |
| Monoisotopic Mass | 211.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number