| CAS Number | 1219795-57-9 |
| Catalog Number | AG01BTCG |
| Chemical Name | Methyl 2-amino-3,6-dibromobenzoate |
| IUPAC Name | methyl 2-amino-3,6-dibromobenzoate |
| InChI | InChI=1S/C8H7Br2NO2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,11H2,1H3 |
| InChI Key | GHEZQQJVBNVTEY-UHFFFAOYSA-N |
| MDL Number | MFCD14673458 |
| Molecular Formula | C8H7Br2NO2 |
| Molecular Weight | 308.9547 |
| SMILES | COC(C1=C(Br)C=CC(Br)=C1N)=O |
| Synonyms | methyl 2-amino-3,6-dibromobenzoate,
1219795-57-9,
ZINC42581167,
AKOS010731035,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.882g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.957g/mol |
| Monoisotopic Mass | 306.884g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number