| CAS Number | 1909326-50-6 |
| Catalog Number | AG01C1MM |
| Chemical Name | benzyl 2-amino-3-fluorobenzoate hydrochloride |
| IUPAC Name | benzyl 2-amino-3-fluorobenzoate;hydrochloride |
| InChI | InChI=1S/C14H12FNO2.ClH/c15-12-8-4-7-11(13(12)16)14(17)18-9-10-5-2-1-3-6-10;/h1-8H,9,16H2;1H |
| InChI Key | NYFORKXZQZEZCZ-UHFFFAOYSA-N |
| MDL Number | MFCD29047364 |
| Molecular Formula | C14H13ClFNO2 |
| Molecular Weight | 281.7099 |
| SMILES | Cl.NC1=C(C(OCC2=CC=CC=C2)=O)C=CC=C1F |
| Synonyms | benzyl 2-amino-3-fluorobenzoate hydrochloride,
1909326-50-6,
Z2238508626,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.711g/mol |
| Monoisotopic Mass | 281.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number