| CAS Number | 91398-63-9 |
| Catalog Number | AG01DM18 |
| Chemical Name | Methyl 5-chloro-3-methylbenzofuran-2-carboxylate |
| IUPAC Name | methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C11H9ClO3/c1-6-8-5-7(12)3-4-9(8)15-10(6)11(13)14-2/h3-5H,1-2H3 |
| InChI Key | LKQFSVREHNMXKY-UHFFFAOYSA-N |
| MDL Number | MFCD02051256 |
| Molecular Formula | C11H9ClO3 |
| Molecular Weight | 224.6404 |
| SMILES | COC(C1=C(C)C2=C(C=CC(=C2)Cl)O1)=O |
| Synonyms | 91398-63-9,
METHYL 5-CHLORO-3-METHYLBENZOFURAN-2-CARBOXYLATE,
methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate,
5-Chloro-3-methyl-benzofuran-2-carboxylic acid methyl ester,
AC1LHMTP,
BAS 02137342,
HMS1678K03,
ZINC422393,
STK819454,
AKOS000589488,
MCULE-2533949609,
ST45207945,
methyl 5-chloro-3-methylbenzo[d]furan-2-carboxylate,
Z57789903,
F1673-6876,
CID865777,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.64g/mol |
| Monoisotopic Mass | 224.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number