| CAS Number | 79686-36-5 |
| Catalog Number | AG01EIXC |
| Chemical Name | 3-(Bromomethyl)benzene-1-sulfonyl fluoride |
| IUPAC Name | 3-(bromomethyl)benzenesulfonyl fluoride |
| InChI | InChI=1S/C7H6BrFO2S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,5H2 |
| InChI Key | IANRVXMUYOCEIY-UHFFFAOYSA-N |
| MDL Number | MFCD31445396 |
| Molecular Formula | C7H6BrFO2S |
| Molecular Weight | 253.0887 |
| SMILES | BrCC=1C=C(C=CC1)S(=O)(=O)F |
| Synonyms | 3-(bromomethyl)benzene-1-sulfonyl fluoride,
79686-36-5,
SCHEMBL11207039,
ES-2265,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.085g/mol |
| Monoisotopic Mass | 251.926g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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