| CAS Number | 5925-80-4 |
| Catalog Number | AG00IAJ4(AGN-PC-0LTN9X) |
| Chemical Name | 1-Chloro-4-(methanesulfonylmethyl)benzene |
| IUPAC Name | 1-chloro-4-(methylsulfonylmethyl)benzene |
| InChI | InChI=1S/C8H9ClO2S/c1-12(10,11)6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3 |
| InChI Key | NLAHSDOLKYATFI-UHFFFAOYSA-N |
| MDL Number | MFCD18432126 |
| Molecular Formula | C8H9ClO2S |
| Molecular Weight | 204.6739 |
| SMILES | CS(=O)(=O)Cc1ccc(Cl)cc1 |
| Synonyms | 4-chlorobenzyl methyl sulfone,
1-CHLORO-4-(METHANESULFONYLMETHYL)BENZENE,
5925-80-4,
1-Chloro-4-((methylsulfonyl)methyl)benzene,
Sulfone, p-chlorobenzyl methyl,
Methyl(4-chlorobenzyl) sulfone,
AC1O583B,
SCHEMBL1678837,
ZINC34064421,
1-chloro-4-(methylsulfonylmethyl)benzene,
CID6453790,
N/A,
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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 | 204.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.668g/mol |
| Monoisotopic Mass | 204.001g/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
Lot Number