| CAS Number | 1426923-27-4 |
| Catalog Number | AG01BB3E |
| Chemical Name | 2-Bromo-5-chloro-4-methylbenzoic acid |
| IUPAC Name | 2-bromo-5-chloro-4-methylbenzoic acid |
| InChI | InChI=1S/C8H6BrClO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12) |
| InChI Key | PXQCKTGVABRZLN-UHFFFAOYSA-N |
| MDL Number | MFCD28505861 |
| Molecular Formula | C8H6BrClO2 |
| Molecular Weight | 249.4890 |
| SMILES | CC1=C(Cl)C=C(C(O)=O)C(Br)=C1 |
| Synonyms | 2-bromo-5-chloro-4-methylbenzoic acid,
1426923-27-4,
AKOS033759295,
ZINC205497528,
Z2092370119,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.488g/mol |
| Monoisotopic Mass | 247.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number