| CAS Number | 1427021-99-5 |
| Catalog Number | AG01AOQR(AGN-PC-0WBERQ) |
| Chemical Name | [1-(2-fluoroethyl)-1H-pyrazol-3-yl]methanol |
| IUPAC Name | [1-(2-fluoroethyl)pyrazol-3-yl]methanol |
| InChI | InChI=1S/C6H9FN2O/c7-2-4-9-3-1-6(5-10)8-9/h1,3,10H,2,4-5H2 |
| InChI Key | PPOYVEAGQXXNGT-UHFFFAOYSA-N |
| MDL Number | MFCD23130707 |
| Molecular Formula | C6H9FN2O |
| Molecular Weight | 144.1469 |
| SMILES | OCC1=NN(CCF)C=C1 |
| Synonyms | 1427021-99-5,
[1-(2-Fluoro-ethyl)-1H-pyrazol-3-yl]-methanol,
MFCD23130707,
ZINC95093818,
AKOS030246544,
FCH2315262,
[1-(2-Fluoroethyl)-1H-pyrazol-3-yl]methanol,
EN300-232955,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.149g/mol |
| Monoisotopic Mass | 144.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number