| CAS Number | 1552638-51-3 |
| Catalog Number | AG001NRE(AGN-PC-0WNH6J) |
| Chemical Name | 3-FLUOROCYCLOBUTANE-1-CARBONITRILE |
| IUPAC Name | 3-fluorocyclobutane-1-carbonitrile |
| InChI | InChI=1S/C5H6FN/c6-5-1-4(2-5)3-7/h4-5H,1-2H2 |
| InChI Key | OIFZJLTVCXMCIE-UHFFFAOYSA-N |
| MDL Number | MFCD26727206 |
| Molecular Formula | C5H6FN |
| Molecular Weight | 99.1062 |
| SMILES | N#CC1CC(F)C1 |
| Synonyms | 3-fluorocyclobutane-1-carbonitrile,
1552638-51-3,
Cyclobutanecarbonitrile, 3-fluoro-,
MFCD26727206,
AKOS023599778,
ZINC107258631,
SB16269,
KS-000008N0,
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| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 99.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 99.108g/mol |
| Monoisotopic Mass | 99.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number