| CAS Number | 171425-52-8 |
| Catalog Number | AG01B1FP |
| Chemical Name | Methyl 2-(4-bromo-3-chlorophenyl)acetate |
| IUPAC Name | methyl 2-(4-bromo-3-chlorophenyl)acetate |
| InChI | InChI=1S/C9H8BrClO2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3 |
| InChI Key | YDILXORBWYRLID-UHFFFAOYSA-N |
| MDL Number | MFCD18398726 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | COC(CC1=CC(Cl)=C(Br)C=C1)=O |
| Synonyms | methyl 2-(4-bromo-3-chlorophenyl)acetate,
171425-52-8,
SCHEMBL7500705,
MFCD18398726,
ZINC96034576,
AKOS026335896,
MCULE-8687997504,
NE19489,
AS-43749,
Z1801307682,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.515g/mol |
| Monoisotopic Mass | 261.94g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number