| CAS Number | 1820705-16-5 |
| Catalog Number | AG0023C8(AGN-PC-0WCYY0) |
| Chemical Name | Benzoic acid, 3-bromo-2,4-dichloro-, methyl ester |
| IUPAC Name | methyl 3-bromo-2,4-dichlorobenzoate |
| InChI | InChI=1S/C8H5BrCl2O2/c1-13-8(12)4-2-3-5(10)6(9)7(4)11/h2-3H,1H3 |
| InChI Key | ZIWOCRDNAABQFE-UHFFFAOYSA-N |
| MDL Number | MFCD27935903 |
| Molecular Formula | C8H5BrCl2O2 |
| Molecular Weight | 283.9341 |
| SMILES | O=C(OC)C1=CC=C(Cl)C(Br)=C1Cl |
| Synonyms | methyl 3-bromo-2,4-dichlorobenzoate,
1820705-16-5,
SCHEMBL7409881,
ZINC96032055,
FCH2502543,
AX8265074,
Benzoic acid, 3-bromo-2,4-dichloro-, methyl ester,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.885g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.93g/mol |
| Monoisotopic Mass | 281.885g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number