| CAS Number | 1314987-31-9 |
| Catalog Number | AG000WBV(AGN-PC-0AC121) |
| Chemical Name | 2,4-Dibromo-5-fluorothioanisole |
| IUPAC Name | 1,5-dibromo-2-fluoro-4-methylsulfanylbenzene |
| InChI | InChI=1S/C7H5Br2FS/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,1H3 |
| InChI Key | CSHNQTHLIOVXML-UHFFFAOYSA-N |
| MDL Number | MFCD19684123 |
| Molecular Formula | C7H5Br2FS |
| Molecular Weight | 299.9860 |
| SMILES | CSc1cc(F)c(cc1Br)Br |
| Synonyms | 2,4-Dibromo-5-fluorothioanisole,
1314987-31-9,
ACMC-209bmd,
C7H5Br2FS,
CTK8B0110,
DTXSID80716637,
ANW-19331,
MFCD19684123,
ZINC74937862,
AKOS015898899,
TC-108076,
Z9597,
B-7097,
1,5-Dibromo-2-fluoro-4-(methylsulfanyl)benzene,
Benzene, 1,5-dibromo-2-fluoro-4-(methylthio)-,
I09-2108,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.844g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.983g/mol |
| Monoisotopic Mass | 297.846g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number