| CAS Number | 6237-17-8 |
| Catalog Number | AG01DZVX(AGN-PC-01WB4D) |
| Chemical Name | 3-Bromo-4,5-dimethylbenzoic acid |
| IUPAC Name | 3-bromo-4,5-dimethylbenzoic acid |
| InChI | InChI=1S/C9H9BrO2/c1-5-3-7(9(11)12)4-8(10)6(5)2/h3-4H,1-2H3,(H,11,12) |
| InChI Key | UVUWHXIKIKBBOO-UHFFFAOYSA-N |
| MDL Number | MFCD24107162 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | CC1=C(C)C(Br)=CC(C(O)=O)=C1 |
| Synonyms | 3-bromo-4,5-dimethylbenzoic acid,
6237-17-8,
SCHEMBL5631374,
UVUWHXIKIKBBOO-UHFFFAOYSA-N,
5-Bromo-3,4-dimethylbenzoic acid,
AKOS020008968,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.073g/mol |
| Monoisotopic Mass | 227.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number