| CAS Number | 72766-07-5 |
| Catalog Number | AG01BR5F(AGN-PC-0NJDDD) |
| Chemical Name | Methyl 2-(2-chloro-4-hydroxyphenyl)acetate |
| IUPAC Name | methyl 2-(2-chloro-4-hydroxyphenyl)acetate |
| InChI | InChI=1S/C9H9ClO3/c1-13-9(12)4-6-2-3-7(11)5-8(6)10/h2-3,5,11H,4H2,1H3 |
| InChI Key | UFMYMZSZEJWWBW-UHFFFAOYSA-N |
| MDL Number | MFCD18398937 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | COC(CC1=C(Cl)C=C(O)C=C1)=O |
| Synonyms | methyl 2-(2-chloro-4-hydroxyphenyl)acetate,
72766-07-5,
SCHEMBL4711040,
UFMYMZSZEJWWBW-UHFFFAOYSA-N,
ZINC75601742,
(2-chloro-4-hydroxy-phenyl)-acetic acid methyl ester,
Benzeneacetic acid, 2-chloro-4-hydroxy-, methyl ester,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number