| CAS Number | 57240-59-2 |
| Catalog Number | AG01A3XD(AGN-PC-0WO7IJ) |
| Chemical Name | 5-chlorofuran-2-carbonitrile |
| IUPAC Name | 5-chlorofuran-2-carbonitrile |
| InChI | InChI=1S/C5H2ClNO/c6-5-2-1-4(3-7)8-5/h1-2H |
| InChI Key | ZQXMLPGTNIYTRW-UHFFFAOYSA-N |
| MDL Number | MFCD09908410 |
| Molecular Formula | C5H2ClNO |
| Molecular Weight | 127.5285 |
| SMILES | ClC1OC(C#N)=CC=1 |
| Synonyms | 5-chlorofuran-2-carbonitrile,
57240-59-2,
2-Furancarbonitrile, 5-chloro-,
SCHEMBL11062807,
ZINC75522757,
AKOS006310539,
NE31999,
FT-0702819,
CID11275015,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.527g/mol |
| Monoisotopic Mass | 126.982g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number