| CAS Number | 353754-49-1 |
| Catalog Number | AG00C6RX |
| Chemical Name | Ethyl 2-Amino-3,5-dibromobenzoate |
| IUPAC Name | ethyl 2-amino-3,5-dibromobenzoate |
| InChI | InChI=1S/C9H9Br2NO2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2,12H2,1H3 |
| InChI Key | NERSGAMVWBINET-UHFFFAOYSA-N |
| MDL Number | MFCD00459830 |
| Molecular Formula | C9H9Br2NO2 |
| Molecular Weight | 322.9813 |
| SMILES | CCOC(C1=C(N)C(Br)=CC(Br)=C1)=O |
| Synonyms | Ethyl 2-Amino-3,5-dibromobenzoate,
353754-49-1,
MFCD00459830,
ZINC38960958,
AKOS009166229,
Ethyl 2-amino-3,5-dibromo-benzoate,
CID10496121,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.984g/mol |
| Monoisotopic Mass | 320.9g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number