| CAS Number | 1210474-89-7 |
| Catalog Number | AG01B1CC |
| Chemical Name | Methyl 2-acetyl-5-chlorobenzoate |
| IUPAC Name | methyl 2-acetyl-5-chlorobenzoate |
| InChI | InChI=1S/C10H9ClO3/c1-6(12)8-4-3-7(11)5-9(8)10(13)14-2/h3-5H,1-2H3 |
| InChI Key | GRIZRWIVKZXLBP-UHFFFAOYSA-N |
| MDL Number | MFCD25956597 |
| Molecular Formula | C10H9ClO3 |
| Molecular Weight | 212.6297 |
| SMILES | COC(C1=C(C(C)=O)C=CC(Cl)=C1)=O |
| Synonyms | methyl 2-acetyl-5-chlorobenzoate,
1210474-89-7,
SCHEMBL1995650,
ZINC96034548,
AKOS033593545,
MCULE-1811202290,
NE46248,
Z1801361753,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.629g/mol |
| Monoisotopic Mass | 212.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number