| CAS Number | 1000576-14-6 |
| Catalog Number | AG01FEJ0(AGN-PC-079VF7) |
| Chemical Name | 3-Bromo-4-chloro-5-fluorotoluene |
| IUPAC Name | 1-bromo-2-chloro-3-fluoro-5-methylbenzene |
| InChI | InChI=1S/C7H5BrClF/c1-4-2-5(8)7(9)6(10)3-4/h2-3H,1H3 |
| InChI Key | HWUYWBXBSNBFGY-UHFFFAOYSA-N |
| MDL Number | MFCD09800759 |
| Molecular Formula | C7H5BrClF |
| Molecular Weight | 223.4700 |
| SMILES | CC1=CC(=C(C(=C1)F)Cl)Br |
| Synonyms | 3-Bromo-4-chloro-5-fluorotoluene,
1000576-14-6,
1-bromo-2-chloro-3-fluoro-5-methylbenzene,
SCHEMBL16860564,
MFCD09800759,
ZINC63339582,
AKOS027385725,
FS-6269,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.469g/mol |
| Monoisotopic Mass | 221.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number