| CAS Number | 1334145-93-5 |
| Catalog Number | AG01AJOV |
| Chemical Name | 2-(2-Chloro-6-fluorophenyl)-2-(dimethylamino)acetic acid hydrochloride |
| IUPAC Name | 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetic acid;hydrochloride |
| InChI | InChI=1S/C10H11ClFNO2.ClH/c1-13(2)9(10(14)15)8-6(11)4-3-5-7(8)12;/h3-5,9H,1-2H3,(H,14,15);1H |
| InChI Key | GZKWQFKHEMOFPV-UHFFFAOYSA-N |
| MDL Number | MFCD19686302 |
| Molecular Formula | C10H12Cl2FNO2 |
| Molecular Weight | 268.1122 |
| SMILES | Cl.CN(C(C1=C(Cl)C=CC=C1F)C(O)=O)C |
| Synonyms | 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetic acid hydrochloride,
1334145-93-5,
MCULE-5923411279,
NE40848,
EN300-81598,
Z1818364245,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.109g/mol |
| Monoisotopic Mass | 267.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number