| CAS Number | 1803605-25-5 |
| Catalog Number | AG01ALFO |
| Chemical Name | 4-(aminomethyl)-2,6-difluorobenzoic acid hydrochloride |
| IUPAC Name | 4-(aminomethyl)-2,6-difluorobenzoic acid;hydrochloride |
| InChI | InChI=1S/C8H7F2NO2.ClH/c9-5-1-4(3-11)2-6(10)7(5)8(12)13;/h1-2H,3,11H2,(H,12,13);1H |
| InChI Key | JMYWZRRXWHDFSR-UHFFFAOYSA-N |
| MDL Number | MFCD28954353 |
| Molecular Formula | C8H8ClF2NO2 |
| Molecular Weight | 223.6044 |
| SMILES | Cl.NCC1=CC(F)=C(C(O)=O)C(F)=C1 |
| Synonyms | 4-(aminomethyl)-2,6-difluorobenzoic acid hydrochloride,
1803605-25-5,
SCHEMBL19328812,
AKOS027196535,
Z2186882749,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.604g/mol |
| Monoisotopic Mass | 223.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number