| CAS Number | 1208077-34-2 |
| Catalog Number | AG01EQZI(AGN-PC-3H47CF) |
| Chemical Name | 1-Bromo-2-chloro-3,6-difluorobenzene |
| IUPAC Name | 2-bromo-3-chloro-1,4-difluorobenzene |
| InChI | InChI=1S/C6H2BrClF2/c7-5-3(9)1-2-4(10)6(5)8/h1-2H |
| InChI Key | WDSQBLDNVHUJRA-UHFFFAOYSA-N |
| MDL Number | MFCD12922607 |
| Molecular Formula | C6H2BrClF2 |
| Molecular Weight | 227.4339 |
| SMILES | BrC1=C(C=CC(=C1Cl)F)F |
| Synonyms | 1-Bromo-2-chloro-3,6-difluorobenzene,
1208077-34-2,
2-bromo-3-chloro-1,4-difluorobenzene,
2-Chloro-3,6-difluorobromobenzene,
2-chloro-3,6-difluorophenylbromide,
ZINC66318935,
FS-5997,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.9g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.433g/mol |
| Monoisotopic Mass | 225.9g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number