| CAS Number | 1260890-50-3 |
| Catalog Number | AG000RK4(AGN-PC-0WAHOI) |
| Chemical Name | Benzene, 1-bromo-2-chloro-3-fluoro-4-(trifluoromethyl)- |
| IUPAC Name | 1-bromo-2-chloro-3-fluoro-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrClF4/c8-4-2-1-3(7(11,12)13)6(10)5(4)9/h1-2H |
| InChI Key | QMJQGEXPVIILPJ-UHFFFAOYSA-N |
| MDL Number | MFCD13195463 |
| Molecular Formula | C7H2BrClF4 |
| Molecular Weight | 277.4414 |
| SMILES | FC(C1=CC=C(Br)C(Cl)=C1F)(F)F |
| Synonyms | 1260890-50-3,
1-Bromo-2-chloro-3-fluoro-4-(trifluoromethyl)benzene,
4-Bromo-3-chloro-2-fluorobenzotrifluoride,
MFCD13195463,
BENZENE, 1-BROMO-2-CHLORO-3-FLUORO-4-(TRIFLUOROMETHYL)-,
SCHEMBL10974687,
ZINC98180604,
AS05908,
CM13196,
AS-33171,
AJ-141710,
CS-0036816,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.896g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.441g/mol |
| Monoisotopic Mass | 275.896g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number