| CAS Number | 886501-82-2 |
| Catalog Number | AG003LE5(AGN-PC-0WAOFF) |
| Chemical Name | 4-Fluoro-3,5-dimethylbenzyl bromide |
| IUPAC Name | 5-(bromomethyl)-2-fluoro-1,3-dimethylbenzene |
| InChI | InChI=1S/C9H10BrF/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4H,5H2,1-2H3 |
| InChI Key | VWOKJGNBUPEMGW-UHFFFAOYSA-N |
| MDL Number | MFCD06660268 |
| Molecular Formula | C9H10BrF |
| Molecular Weight | 217.0781 |
| SMILES | CC1=C(F)C(C)=CC(CBr)=C1 |
| Synonyms | 4-Fluoro-3,5-dimethylbenzyl bromide,
886501-82-2,
5-(bromomethyl)-2-fluoro-1,3-dimethylbenzene,
3,5-dimethyl-4-fluorobenzyl bromide,
MFCD06660268,
SCHEMBL3436943,
CTK5I9734,
DTXSID60590659,
VWOKJGNBUPEMGW-UHFFFAOYSA-N,
JRD-1870,
SBB095361,
ZINC71867250,
AKOS010017188,
RT-009666,
5-?(Bromomethyl)?-?2-?fluoro-?1,?3-?dimethyl-benzene,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.081g/mol |
| Monoisotopic Mass | 215.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number