| CAS Number | 40759-45-3 |
| Catalog Number | AG00I7ZP(AGN-PC-0OA791) |
| Chemical Name | 1-(2-Methanesulfonyloxyethyl)-2-chlorobenzene |
| IUPAC Name | 2-(2-chlorophenyl)ethyl methanesulfonate |
| InChI | InChI=1S/C9H11ClO3S/c1-14(11,12)13-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3 |
| InChI Key | ZNHIBZIUMHTTKD-UHFFFAOYSA-N |
| MDL Number | MFCD25963245 |
| Molecular Formula | C9H11ClO3S |
| Molecular Weight | 234.6998 |
| SMILES | CS(=O)(=O)OCCc1ccccc1Cl |
| Synonyms | 1-(2-methanesulfonyloxyethyl)-2-chlorobenzene,
40759-45-3,
2-Chlorophenethyl methanesulfonate,
2-(2-chlorophenyl)ethyl methanesulfonate,
SCHEMBL4852971,
ZNHIBZIUMHTTKD-UHFFFAOYSA-N,
MFCD25963245,
ZINC167825680,
2-(2-chlorophenyl)ethanol methanesulfonate,
Benzeneethanol, 2-chloro-, methanesulfonate,
CS-0037725,
methanesulfonic acid 2-(2-chlorophenyl)-ethyl ester,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.694g/mol |
| Monoisotopic Mass | 234.012g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number