| CAS Number | 1803566-54-2 |
| Catalog Number | AG01B1KY(AGN-PC-0WOQAX) |
| Chemical Name | 2-(2,6-dichlorophenyl)-2-(methylamino)acetic acid hydrochloride |
| IUPAC Name | 2-(2,6-dichlorophenyl)-2-(methylamino)acetic acid;hydrochloride |
| InChI | InChI=1S/C9H9Cl2NO2.ClH/c1-12-8(9(13)14)7-5(10)3-2-4-6(7)11;/h2-4,8,12H,1H3,(H,13,14);1H |
| InChI Key | PPPLRMNOTNTUKX-UHFFFAOYSA-N |
| MDL Number | MFCD28012228 |
| Molecular Formula | C9H10Cl3NO2 |
| Molecular Weight | 270.5402 |
| SMILES | Cl.CNC(C1=C(Cl)C=CC=C1Cl)C(O)=O |
| Synonyms | 2-(2,6-dichlorophenyl)-2-(methylamino)acetic acid hydrochloride,
1803566-54-2,
AKOS026740913,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.534g/mol |
| Monoisotopic Mass | 268.978g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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