| CAS Number | 91900-27-5 |
| Catalog Number | AG01BXQ9 |
| Chemical Name | methyl 2-chloro-2-(3-methoxyphenyl)acetate |
| IUPAC Name | methyl 2-chloro-2-(3-methoxyphenyl)acetate |
| InChI | InChI=1S/C10H11ClO3/c1-13-8-5-3-4-7(6-8)9(11)10(12)14-2/h3-6,9H,1-2H3 |
| InChI Key | GXCOBYMQMGRMJQ-UHFFFAOYSA-N |
| MDL Number | MFCD16694235 |
| Molecular Formula | C10H11ClO3 |
| Molecular Weight | 214.6455 |
| SMILES | COC(C(C1=CC(OC)=CC=C1)Cl)=O |
| Synonyms | methyl 2-chloro-2-(3-methoxyphenyl)acetate,
91900-27-5,
AKOS011508497,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.645g/mol |
| Monoisotopic Mass | 214.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number