| CAS Number | 1183479-43-7 |
| Catalog Number | AG01AHG7 |
| Chemical Name | Ethyl 2-amino-5-bromo-3-fluorobenzoate |
| IUPAC Name | ethyl 2-amino-5-bromo-3-fluorobenzoate |
| InChI | InChI=1S/C9H9BrFNO2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2,12H2,1H3 |
| InChI Key | JMCYTJBMIXYMNQ-UHFFFAOYSA-N |
| MDL Number | MFCD12159874 |
| Molecular Formula | C9H9BrFNO2 |
| Molecular Weight | 262.0757 |
| SMILES | O=C(OCC)C1=CC(Br)=CC(F)=C1N |
| Synonyms | ethyl 2-amino-5-bromo-3-fluorobenzoate,
1183479-43-7,
ZINC37475422,
AKOS008140005,
MCULE-4589593155,
NE15438,
EN300-74658,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.078g/mol |
| Monoisotopic Mass | 260.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number