| CAS Number | 1019577-98-0 |
| Catalog Number | AG01AGVM |
| Chemical Name | Methyl 2-([(5-chloro-2-hydroxyphenyl)methyl]amino)acetate |
| IUPAC Name | methyl 2-[(5-chloro-2-hydroxyphenyl)methylamino]acetate |
| InChI | InChI=1S/C10H12ClNO3/c1-15-10(14)6-12-5-7-4-8(11)2-3-9(7)13/h2-4,12-13H,5-6H2,1H3 |
| InChI Key | KXCYZXQCZALVFW-UHFFFAOYSA-N |
| MDL Number | MFCD11140602 |
| Molecular Formula | C10H12ClNO3 |
| Molecular Weight | 229.6602 |
| SMILES | COC(CNCC1=C(O)C=CC(Cl)=C1)=O |
| Synonyms | methyl 2-{[(5-chloro-2-hydroxyphenyl)methyl]amino}acetate,
1019577-98-0,
AC1Q447O,
ZINC90225644,
AKOS000227974,
MCULE-6166928867,
NE28946,
EN300-72987,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.66g/mol |
| Monoisotopic Mass | 229.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number