| CAS Number | 1242269-80-2 |
| Catalog Number | AG009W7T |
| Chemical Name | 4-Chloro-2-fluoro-5-nitro-benzonitrile |
| IUPAC Name | 4-chloro-2-fluoro-5-nitrobenzonitrile |
| InChI | InChI=1S/C7H2ClFN2O2/c8-5-2-6(9)4(3-10)1-7(5)11(12)13/h1-2H |
| InChI Key | ZDHOTDZFFZOKPK-UHFFFAOYSA-N |
| MDL Number | MFCD20486212 |
| Molecular Formula | C7H2ClFN2O2 |
| Molecular Weight | 200.5544 |
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])Cl)F)C#N |
| Synonyms | 4-chloro-2-fluoro-5-nitrobenzonitrile,
1242269-80-2,
4-Chloro-2-fluoro-5-nitro-benzonitrile,
SCHEMBL1725293,
ZDHOTDZFFZOKPK-UHFFFAOYSA-N,
MFCD20486212,
AKOS027427349,
ZINC116941738,
FCH1605972,
EN300-199353,
178448-14-1,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.553g/mol |
| Monoisotopic Mass | 199.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number