| CAS Number | 108994-41-8 |
| Catalog Number | AG019WZE |
| Chemical Name | 2-[(5-chloro-2-methoxyphenyl)amino]acetic acid |
| IUPAC Name | 2-(5-chloro-2-methoxyanilino)acetic acid |
| InChI | InChI=1S/C9H10ClNO3/c1-14-8-3-2-6(10)4-7(8)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13) |
| InChI Key | NXAKHKLNBVSWBW-UHFFFAOYSA-N |
| MDL Number | MFCD06849813 |
| Molecular Formula | C9H10ClNO3 |
| Molecular Weight | 215.6336 |
| SMILES | COC1=C(NCC(O)=O)C=C(Cl)C=C1 |
| Synonyms | 2-[(5-chloro-2-methoxyphenyl)amino]acetic acid,
108994-41-8,
CTK7A7031,
ZINC20154807,
AKOS008119100,
MCULE-2407380963,
NE19960,
EN300-53606,
Z812516924,
AC1Q465M,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.034921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.63g/mol |
| Monoisotopic Mass | 215.034921g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number