| CAS Number | 1082040-50-3 |
| Catalog Number | AG01EQPE(AGN-PC-3H47BA) |
| Chemical Name | 1-bromo-5-chloro-3-fluoro-2-methylbenzene |
| IUPAC Name | 1-bromo-5-chloro-3-fluoro-2-methylbenzene |
| InChI | InChI=1S/C7H5BrClF/c1-4-6(8)2-5(9)3-7(4)10/h2-3H,1H3 |
| InChI Key | GJIIZLQZXRJLQM-UHFFFAOYSA-N |
| MDL Number | MFCD11845453 |
| Molecular Formula | C7H5BrClF |
| Molecular Weight | 223.4700 |
| SMILES | Clc1cc(F)c(c(c1)Br)C |
| Synonyms | 2-Bromo-4-chloro-6-fluorotoluene,
1082040-50-3,
1-bromo-5-chloro-3-fluoro-2-methylbenzene,
SCHEMBL13964560,
MFCD11845453,
ZINC79387445,
W-1292,
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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