| CAS Number | 1218741-14-0 |
| Catalog Number | AG01B3YD |
| Chemical Name | 2-(2,3-Dichlorophenyl)-2-(methylamino)acetic acid |
| IUPAC Name | 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid |
| InChI | InChI=1S/C9H9Cl2NO2/c1-12-8(9(13)14)5-3-2-4-6(10)7(5)11/h2-4,8,12H,1H3,(H,13,14) |
| InChI Key | XUSJFRAYQKFOSU-UHFFFAOYSA-N |
| MDL Number | MFCD12047881 |
| Molecular Formula | C9H9Cl2NO2 |
| Molecular Weight | 234.0793 |
| SMILES | CNC(C1=C(Cl)C(Cl)=CC=C1)C(O)=O |
| Synonyms | 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid,
1218741-14-0,
AKOS005265876,
Z2568757995,
(2,3-Dichloro-phenyl)-methylamino-acetic acid,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.076g/mol |
| Monoisotopic Mass | 233.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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