| CAS Number | 1131040-49-7 |
| Catalog Number | AG01ALTX |
| Chemical Name | Ethyl 2-bromo-3-fluorobenzoate |
| IUPAC Name | ethyl 2-bromo-3-fluorobenzoate |
| InChI | InChI=1S/C9H8BrFO2/c1-2-13-9(12)6-4-3-5-7(11)8(6)10/h3-5H,2H2,1H3 |
| InChI Key | JCKZDYSLKOUKTG-UHFFFAOYSA-N |
| MDL Number | MFCD10000923 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.0610 |
| SMILES | CCOC(C1=C(Br)C(F)=CC=C1)=O |
| Synonyms | ethyl 2-bromo-3-fluorobenzoate,
1131040-49-7,
SCHEMBL19260569,
MFCD10000923,
ZINC47202644,
AKOS017556539,
FT-0725730,
Z2211246652,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.063g/mol |
| Monoisotopic Mass | 245.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number