| CAS Number | 1000577-50-3 |
| Catalog Number | AG01F2YX(AGN-PC-3H48O9) |
| Chemical Name | 2-Bromo-4-chloro-6-fluorophenyl isothiocyanate |
| IUPAC Name | 1-bromo-5-chloro-3-fluoro-2-isothiocyanatobenzene |
| InChI | InChI=1S/C7H2BrClFNS/c8-5-1-4(9)2-6(10)7(5)11-3-12/h1-2H |
| InChI Key | BVGUPECNNRDPLU-UHFFFAOYSA-N |
| MDL Number | MFCD09878105 |
| Molecular Formula | C7H2BrClFNS |
| Molecular Weight | 266.5179 |
| SMILES | C1(F)=CC(Cl)=CC(Br)=C1N=C=S |
| Synonyms | 2-Bromo-4-chloro-6-fluorophenyl isothiocyanate,
1000577-50-3,
2-bromo-4-chloro-6-fluorophenylisothiocyanate,
ZINC15444475,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.876g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.512g/mol |
| Monoisotopic Mass | 264.876g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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