| CAS Number | 25195-47-5 |
| Catalog Number | AG00BE2L(AGN-PC-0KKOMQ) |
| Chemical Name | 3-Fluorobenzylmethylsulfone |
| IUPAC Name | 1-fluoro-3-(methylsulfonylmethyl)benzene |
| InChI | InChI=1S/C8H9FO2S/c1-12(10,11)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3 |
| InChI Key | BWJMWCGPPGYHRZ-UHFFFAOYSA-N |
| MDL Number | MFCD06798005 |
| Molecular Formula | C8H9FO2S |
| Molecular Weight | 188.2193 |
| SMILES | C1=CC=C(F)C=C1CS(=O)(=O)C |
| Synonyms | 3-Fluorobenzylmethylsulfone,
25195-47-5,
1-fluoro-3-(methylsulfonylmethyl)benzene,
3-fluorobenzyl methyl sulfone,
AC1MC4W1,
SCHEMBL776710,
ZINC4290587,
AKOS006229507,
MCULE-6356877519,
(3-fluorophenyl)(methylsulfonyl)methane,
FT-0694629,
ST51042211,
ZINC04290587,
CID2761412,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.216g/mol |
| Monoisotopic Mass | 188.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number