| CAS Number | 1032668-64-6 |
| Catalog Number | AG01AJGS |
| Chemical Name | Ethyl 2-amino-5-bromo-3-chlorobenzoate |
| IUPAC Name | ethyl 2-amino-5-bromo-3-chlorobenzoate |
| InChI | InChI=1S/C9H9BrClNO2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2,12H2,1H3 |
| InChI Key | SYDQBEZVAQLCSQ-UHFFFAOYSA-N |
| MDL Number | MFCD12159924 |
| Molecular Formula | C9H9BrClNO2 |
| Molecular Weight | 278.5303 |
| SMILES | CCOC(C1=C(N)C(Cl)=CC(Br)=C1)=O |
| Synonyms | ethyl 2-amino-5-bromo-3-chlorobenzoate,
1032668-64-6,
ZINC37475476,
NE15440,
EN300-80721,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.53g/mol |
| Monoisotopic Mass | 276.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number