| CAS Number | 1056893-24-3 |
| Catalog Number | AG00HAOQ(AGN-PC-0WAOQI) |
| Chemical Name | 3-(Pentafluorothio)benzyl bromide |
| IUPAC Name | [3-(bromomethyl)phenyl]-pentafluoro-λ6-sulfane |
| InChI | InChI=1S/C7H6BrF5S/c8-5-6-2-1-3-7(4-6)14(9,10,11,12)13/h1-4H,5H2 |
| InChI Key | VBTCKIUDJZCRJU-UHFFFAOYSA-N |
| MDL Number | MFCD16652411 |
| Molecular Formula | C7H6BrF5S |
| Molecular Weight | 297.0836 |
| SMILES | FS(F)(F)(F)(F)C=1C=CC=C(C1)CBr |
| Synonyms | 1056893-24-3,
3-(Pentafluorosulfur)benzyl bromide,
3-(Pentafluorothio)benzyl bromide,
MFCD16652411,
SCHEMBL2219224,
ZX-AP003657,
ZINC97949930,
AKOS015956762,
FCH1346538,
PC50105,
PS-9917,
3-(Bromomethyl)phenylpentafluorosulfur(VI),
1-(bromomethyl)-3-(pentafluoro-lambda~6~-sulfanyl)benzene,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.081g/mol |
| Monoisotopic Mass | 295.929g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number