| CAS Number | 1072438-51-7 |
| Catalog Number | AG01B6GH |
| Chemical Name | methyl 4-(aminomethyl)-3-fluorobenzoate hydrochloride |
| IUPAC Name | methyl 4-(aminomethyl)-3-fluorobenzoate;hydrochloride |
| InChI | InChI=1S/C9H10FNO2.ClH/c1-13-9(12)6-2-3-7(5-11)8(10)4-6;/h2-4H,5,11H2,1H3;1H |
| InChI Key | SQMOIRMDTVCDDV-UHFFFAOYSA-N |
| MDL Number | MFCD17171306 |
| Molecular Formula | C9H11ClFNO2 |
| Molecular Weight | 219.6405 |
| SMILES | Cl.NCC1=C(C=C(C(=O)OC)C=C1)F |
| Synonyms | methyl 4-(aminomethyl)-3-fluorobenzoate hydrochloride,
1072438-51-7,
SCHEMBL12499887,
AKOS033946807,
Z2574914548,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.64g/mol |
| Monoisotopic Mass | 219.046g/mol |
| Rotatable Bond Count | 3 |
| 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