| CAS Number | 1242339-10-1 |
| Catalog Number | AG000LR3(AGN-PC-0WCZX7) |
| Chemical Name | Benzene, 2-bromo-5-chloro-1-fluoro-3-methyl- |
| IUPAC Name | 2-bromo-5-chloro-1-fluoro-3-methylbenzene |
| InChI | InChI=1S/C7H5BrClF/c1-4-2-5(9)3-6(10)7(4)8/h2-3H,1H3 |
| InChI Key | BAGCZQFQADYULL-UHFFFAOYSA-N |
| MDL Number | MFCD16817665 |
| Molecular Formula | C7H5BrClF |
| Molecular Weight | 223.4700 |
| SMILES | BrC1=C(C=C(C=C1C)Cl)F |
| Synonyms | 1242339-10-1,
2-Bromo-5-chloro-3-fluorotoluene,
2-bromo-5-chloro-1-fluoro-3-methylbenzene,
SCHEMBL13550060,
ZINC67794454,
FCH1348573,
FS-6453,
AX8212830,
Benzene, 2-bromo-5-chloro-1-fluoro-3-methyl-,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number