| CAS Number | 1427013-72-6 |
| Catalog Number | AG017YVL(AGN-PC-3H45BC) |
| Chemical Name | 1-(2-Fluoro-ethyl)-1H-pyrazole-3-carbaldehyde |
| IUPAC Name | 1-(2-fluoroethyl)pyrazole-3-carbaldehyde |
| InChI | InChI=1S/C6H7FN2O/c7-2-4-9-3-1-6(5-10)8-9/h1,3,5H,2,4H2 |
| InChI Key | DHVLXVOUHTZLII-UHFFFAOYSA-N |
| MDL Number | MFCD23130718 |
| Molecular Formula | C6H7FN2O |
| Molecular Weight | 142.1310 |
| SMILES | FCCN1N=C(C=C1)C=O |
| Synonyms | 1-(2-Fluoroethyl)-1H-pyrazole-3-carbaldehyde,
1427013-72-6,
ZINC95093826,
AKOS023875964,
1-(2-Fluoro-ethyl)-1H-pyrazole-3-carbaldehyde,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.133g/mol |
| Monoisotopic Mass | 142.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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