| CAS Number | 772-47-4 |
| Catalog Number | AG005D50(AGN-PC-0JOKID) |
| Chemical Name | [(Ethanesulfonyl)methyl]benzene |
| IUPAC Name | ethylsulfonylmethylbenzene |
| InChI | InChI=1S/C9H12O2S/c1-2-12(10,11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChI Key | RLVXXYWTYPOVND-UHFFFAOYSA-N |
| MDL Number | MFCD00830724 |
| Molecular Formula | C9H12O2S |
| Molecular Weight | 184.2554 |
| NSC Number | 65082 |
| SMILES | CCS(=O)(=O)Cc1ccccc1 |
| Synonyms | benzyl ethyl sulfone,
ethylsulfonylmethylbenzene,
[(ethanesulfonyl)methyl]benzene,
772-47-4,
Benzylethyl sulfone,
NSC65082,
Maybridge3_003271,
AC1L6M7B,
AC1Q38CM,
NCIOpen2_000441,
SCHEMBL776398,
[(ethylsulfonyl)methyl]benzene,
CTK2H9228,
DTXSID50289888,
HMS1440E15,
ZINC163108,
NSC-65082,
MCULE-6797979732,
IDI1_014658,
CID248355,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.253g/mol |
| Monoisotopic Mass | 184.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number