| CAS Number | 847502-89-0 |
| Catalog Number | AG00IDF8(AGN-PC-03YWYL) |
| Chemical Name | 2-Bromo-1,3-difluoro-4-methylbenzene |
| IUPAC Name | 2-bromo-1,3-difluoro-4-methylbenzene |
| InChI | InChI=1S/C7H5BrF2/c1-4-2-3-5(9)6(8)7(4)10/h2-3H,1H3 |
| InChI Key | QKNUXBGHHVRFQI-UHFFFAOYSA-N |
| MDL Number | MFCD28527822 |
| Molecular Formula | C7H5BrF2 |
| Molecular Weight | 207.0154 |
| SMILES | CC1=C(F)C(Br)=C(F)C=C1 |
| Synonyms | 2-bromo-1,3-difluoro-4-methylbenzene,
847502-89-0,
SCHEMBL4623500,
ZINC59549764,
FCH5681874,
BBV-68523718,
PC501983,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.018g/mol |
| Monoisotopic Mass | 205.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number