| CAS Number | 1344145-36-3 |
| Catalog Number | AG00IKXG(AGN-PC-0HG0YB) |
| Chemical Name | 1-(3-fluoropyridin-2-yl)-3-oxocyclobutane-1-carbonitrile |
| IUPAC Name | 1-(3-fluoropyridin-2-yl)-3-oxocyclobutane-1-carbonitrile |
| InChI | InChI=1S/C10H7FN2O/c11-8-2-1-3-13-9(8)10(6-12)4-7(14)5-10/h1-3H,4-5H2 |
| InChI Key | MZLXAQCGNKZLQA-UHFFFAOYSA-N |
| MDL Number | MFCD30471608 |
| Molecular Formula | C10H7FN2O |
| Molecular Weight | 190.1738 |
| SMILES | FC1=C(C2(C#N)CC(=O)C2)N=CC=C1 |
| Synonyms | 1-(3-fluoropyridin-2-yl)-3-oxocyclobutane-1-carbonitrile,
1344145-36-3,
1-(3-Fluoropyridin-2-yl)-3-oxocyclobutanecarbonitrile,
SCHEMBL2563331,
MZLXAQCGNKZLQA-UHFFFAOYSA-N,
MFCD30471608,
AKOS030628513,
ZINC166226480,
SB13186,
AS-52931,
CS-0052886,
J3.596.380D,
1-(3-Fluoro-2-pyridyl)-3-oxocyclobutanecarbonitrile,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.177g/mol |
| Monoisotopic Mass | 190.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number