| CAS Number | 168551-51-7 |
| Catalog Number | AG00HZ8K(AGN-PC-0WBL29) |
| Chemical Name | 1-(chloromethyl)-2-methanesulfonylbenzene |
| IUPAC Name | 1-(chloromethyl)-2-methylsulfonylbenzene |
| InChI | InChI=1S/C8H9ClO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3 |
| InChI Key | RKEIQGFHGMYUON-UHFFFAOYSA-N |
| MDL Number | MFCD09057754 |
| Molecular Formula | C8H9ClO2S |
| Molecular Weight | 204.6739 |
| SMILES | CS(C1=C(CCl)C=CC=C1)(=O)=O |
| Synonyms | 168551-51-7,
1-(chloromethyl)-2-methanesulfonylbenzene,
1-(CHLOROMETHYL)-2-(METHYLSULFONYL)BENZENE,
SCHEMBL3412099,
RKEIQGFHGMYUON-UHFFFAOYSA-N,
ZINC11848539,
AKOS002367289,
AB49692,
MCULE-2670225758,
NS-02161,
2-(chloromethyl)-1-(methylsulfonyl)benzene,
1-(chloromethyl)-2-(methylsulfonyl)-benzene,
ST50404878,
1-CHLOROMETHYL-2-METHANESULFONYL-BENZENE,
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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 | 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 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number