| CAS Number | 1305712-66-6 |
| Catalog Number | AG01AGL7 |
| Chemical Name | Methyl 2-{[(3,4-difluorophenyl)methyl]amino}acetate hydrochloride |
| IUPAC Name | methyl 2-[(3,4-difluorophenyl)methylamino]acetate;hydrochloride |
| InChI | InChI=1S/C10H11F2NO2.ClH/c1-15-10(14)6-13-5-7-2-3-8(11)9(12)4-7;/h2-4,13H,5-6H2,1H3;1H |
| InChI Key | JDLZTTLMLODDIL-UHFFFAOYSA-N |
| MDL Number | MFCD18089464 |
| Molecular Formula | C10H12ClF2NO2 |
| Molecular Weight | 251.6576 |
| SMILES | Cl.COC(CNCC1=CC(F)=C(F)C=C1)=O |
| Synonyms | methyl 2-{[(3,4-difluorophenyl)methyl]amino}acetate hydrochloride,
1305712-66-6,
AC1Q3BY5,
AKOS008066946,
MCULE-9439533218,
NE42228,
EN300-72179,
Z1266823154,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.658g/mol |
| Monoisotopic Mass | 251.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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