| CAS Number | 438536-02-8 |
| Catalog Number | AG01FFIS(AGN-PC-3H4A5L) |
| Chemical Name | Ethyl 2,4-dibromobenzoate |
| IUPAC Name | ethyl 2,4-dibromobenzoate |
| InChI | InChI=1S/C9H8Br2O2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3 |
| InChI Key | CROJHVGFOZZAOA-UHFFFAOYSA-N |
| MDL Number | MFCD09954349 |
| Molecular Formula | C9H8Br2O2 |
| Molecular Weight | 307.9666 |
| SMILES | CCOC(=O)c1ccc(cc1Br)Br |
| Synonyms | ethyl 2,4-dibromobenzoate,
438536-02-8,
SCHEMBL5273471,
2,4-Dibromobenzoic acid ethyl ester,
ZINC47202750,
FT-0709619,
|
| Complexity | 185 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.969g/mol |
| Monoisotopic Mass | 305.889g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number