| CAS Number | 2089258-01-3 |
| Catalog Number | AG01E8Z1 |
| Chemical Name | 5-amino-2,4-difluorobenzonitrile hydrochloride |
| IUPAC Name | 5-amino-2,4-difluorobenzonitrile;hydrochloride |
| InChI | InChI=1S/C7H4F2N2.ClH/c8-5-2-6(9)7(11)1-4(5)3-10;/h1-2H,11H2;1H |
| InChI Key | GTUJOEAYUCXJEU-UHFFFAOYSA-N |
| MDL Number | MFCD30539772 |
| Molecular Formula | C7H5ClF2N2 |
| Molecular Weight | 190.5778 |
| SMILES | Cl.NC1=C(F)C=C(F)C(C#N)=C1 |
| Synonyms | 5-amino-2,4-difluorobenzonitrile hydrochloride,
Z2753047976,
2089258-01-3,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.578g/mol |
| Monoisotopic Mass | 190.011g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number