| CAS Number | 1160574-49-1 |
| Catalog Number | AG00HDON(AGN-PC-0WRAC4) |
| Chemical Name | 5-Bromo-3-chloro-2-fluorotoluene |
| IUPAC Name | 5-bromo-1-chloro-2-fluoro-3-methylbenzene |
| InChI | InChI=1S/C7H5BrClF/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3 |
| InChI Key | QPVLYXFDAOPVFQ-UHFFFAOYSA-N |
| MDL Number | MFCD11845903 |
| Molecular Formula | C7H5BrClF |
| Molecular Weight | 223.4700 |
| SMILES | C1(C)=CC(Br)=CC(Cl)=C1F |
| Synonyms | 5-Bromo-3-chloro-2-fluorotoluene,
1160574-49-1,
5-bromo-1-chloro-2-fluoro-3-methylbenzene,
SCHEMBL13550057,
ZINC65356410,
AKOS023093519,
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| 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 |
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Certificate of Analysis
Lot Number