| CAS Number | 1261791-50-7 |
| Catalog Number | AG01A6CQ |
| Chemical Name | Ethyl 3-bromo-2-chlorobenzoate |
| IUPAC Name | ethyl 3-bromo-2-chlorobenzoate |
| InChI | InChI=1S/C9H8BrClO2/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3 |
| InChI Key | FDVSBPVGYUMGND-UHFFFAOYSA-N |
| MDL Number | MFCD18395858 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | CCOC(C1=C(Cl)C(Br)=CC=C1)=O |
| Synonyms | ethyl 3-bromo-2-chlorobenzoate,
1261791-50-7,
ZINC95348143,
AKOS026208066,
MCULE-4863554885,
NE40768,
Z1628690490,
N/A,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.515g/mol |
| Monoisotopic Mass | 261.94g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number