| CAS Number | 1503959-72-5 |
| Catalog Number | AG00HXSM(AGN-PC-0WOAFD) |
| Chemical Name | Ethyl 3-bromo-4-chloro-5-nitrobenzoate |
| IUPAC Name | ethyl 3-bromo-4-chloro-5-nitrobenzoate |
| InChI | InChI=1S/C9H7BrClNO4/c1-2-16-9(13)5-3-6(10)8(11)7(4-5)12(14)15/h3-4H,2H2,1H3 |
| InChI Key | WABNGGIFKDTJIW-UHFFFAOYSA-N |
| MDL Number | MFCD24107137 |
| Molecular Formula | C9H7BrClNO4 |
| Molecular Weight | 308.5132 |
| SMILES | CCOC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])Cl |
| Synonyms | Ethyl 3-Bromo-4-chloro-5-nitrobenzoate,
1503959-72-5,
AKOS020006987,
ZINC160783981,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.512g/mol |
| Monoisotopic Mass | 306.925g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number