| CAS Number | 1797668-24-6 |
| Catalog Number | AG01BCV6 |
| Chemical Name | methyl 2-{[(3-bromophenyl)methyl]amino}acetate hydrochloride |
| IUPAC Name | methyl 2-[(3-bromophenyl)methylamino]acetate;hydrochloride |
| InChI | InChI=1S/C10H12BrNO2.ClH/c1-14-10(13)7-12-6-8-3-2-4-9(11)5-8;/h2-5,12H,6-7H2,1H3;1H |
| InChI Key | HFZCLEULAZWPME-UHFFFAOYSA-N |
| MDL Number | MFCD28012324 |
| Molecular Formula | C10H13BrClNO2 |
| Molecular Weight | 294.5727 |
| SMILES | Cl.COC(CNCC1=CC(Br)=CC=C1)=O |
| Synonyms | methyl 2-{[(3-bromophenyl)methyl]amino}acetate hydrochloride,
1797668-24-6,
MCULE-1481748592,
NE25000,
Z1821397914,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.573g/mol |
| Monoisotopic Mass | 292.982g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number