| CAS Number | 1416352-15-2 |
| Catalog Number | AG01B9HT |
| Chemical Name | 4-Bromo-3-chloro-5-methylbenzoic acid |
| IUPAC Name | 4-bromo-3-chloro-5-methylbenzoic acid |
| InChI | InChI=1S/C8H6BrClO2/c1-4-2-5(8(11)12)3-6(10)7(4)9/h2-3H,1H3,(H,11,12) |
| InChI Key | LYNHENCALWCBLJ-UHFFFAOYSA-N |
| MDL Number | MFCD22566291 |
| Molecular Formula | C8H6BrClO2 |
| Molecular Weight | 249.4890 |
| SMILES | CC1=C(Br)C(Cl)=CC(C(O)=O)=C1 |
| Synonyms | 4-Bromo-3-chloro-5-methylbenzoic acid,
1416352-15-2,
ZINC85652786,
AKOS026671990,
Z2027049507,
|
| 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