| CAS Number | 1803601-91-3 |
| Catalog Number | AG01B8ER |
| Chemical Name | 3,5-dibromo-4-ethylbenzoic acid |
| IUPAC Name | 3,5-dibromo-4-ethylbenzoic acid |
| InChI | InChI=1S/C9H8Br2O2/c1-2-6-7(10)3-5(9(12)13)4-8(6)11/h3-4H,2H2,1H3,(H,12,13) |
| InChI Key | KNSTVDXADOMKQX-UHFFFAOYSA-N |
| MDL Number | MFCD28246489 |
| Molecular Formula | C9H8Br2O2 |
| Molecular Weight | 307.9666 |
| SMILES | CCC1=C(Br)C=C(C(O)=O)C=C1Br |
| Synonyms | 3,5-dibromo-4-ethylbenzoic acid,
1803601-91-3,
AKOS033723828,
ZINC170620187,
Z1998637122,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.887g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.969g/mol |
| Monoisotopic Mass | 305.889g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number