| CAS Number | 1803589-03-8 |
| Catalog Number | AG01BHJH |
| Chemical Name | 4-(AMINOMETHYL)-2,6-DIFLUOROBENZONITRILE HYDROCHLORIDE |
| IUPAC Name | 4-(aminomethyl)-2,6-difluorobenzonitrile;hydrochloride |
| InChI | InChI=1S/C8H6F2N2.ClH/c9-7-1-5(3-11)2-8(10)6(7)4-12;/h1-2H,3,11H2;1H |
| InChI Key | PUQNSKLCBBTODM-UHFFFAOYSA-N |
| MDL Number | MFCD28145289 |
| Molecular Formula | C8H7ClF2N2 |
| Molecular Weight | 204.6044 |
| SMILES | N#CC1=C(F)C=C(CN)C=C1F.[H]Cl |
| Synonyms | 4-(aminomethyl)-2,6-difluorobenzonitrile hydrochloride,
1803589-03-8,
EN300-195879,
Z1982493960,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.026582g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.6g/mol |
| Monoisotopic Mass | 204.026582g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number