| CAS Number | 1000576-68-0 |
| Catalog Number | AG01DCZP(AGN-PC-0WG4WY) |
| Chemical Name | 1-Bromo-2-Chloro-5-Fluoro-3-Methylbenzene |
| IUPAC Name | 1-bromo-2-chloro-5-fluoro-3-methylbenzene |
| InChI | InChI=1S/C7H5BrClF/c1-4-2-5(10)3-6(8)7(4)9/h2-3H,1H3 |
| InChI Key | WVPIMQSHAFMKIB-UHFFFAOYSA-N |
| MDL Number | MFCD09800774 |
| Molecular Formula | C7H5BrClF |
| Molecular Weight | 223.4700 |
| SMILES | Cc1cc(cc(c1Cl)Br)F |
| Synonyms | 3-Bromo-2-chloro-5-fluorotoluene,
1000576-68-0,
1-bromo-2-chloro-5-fluoro-3-methylbenzene,
SCHEMBL13550039,
2-chloro-3-bromo-5-fluorotoluene,
MFCD09800774,
ZINC63339591,
AKOS027385727,
FS-5008,
|
| 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