| CAS Number | 1373253-12-3 |
| Catalog Number | AG01F3LJ(AGN-PC-3H48PF) |
| Chemical Name | 2-Bromo-3,4-dichloro-6-fluorotoluene |
| IUPAC Name | 3-bromo-1,2-dichloro-5-fluoro-4-methylbenzene |
| InChI | InChI=1S/C7H4BrCl2F/c1-3-5(11)2-4(9)7(10)6(3)8/h2H,1H3 |
| InChI Key | MQVQYQDVHIBCNR-UHFFFAOYSA-N |
| MDL Number | MFCD22056782 |
| Molecular Formula | C7H4BrCl2F |
| Molecular Weight | 257.9151 |
| SMILES | BrC1=C(C)C(=CC(=C1Cl)Cl)F |
| Synonyms | 2-Bromo-3,4-dichloro-6-fluorotoluene,
1373253-12-3,
ZINC79387449,
3-Bromo-1,2-dichloro-5-fluoro-4-methyl-benzene,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.886g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.911g/mol |
| Monoisotopic Mass | 255.886g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number