| CAS Number | 1190373-83-1 |
| Catalog Number | AG01BABU |
| Chemical Name | Ethyl 3-(chlorosulfonyl)benzeneacetate |
| IUPAC Name | ethyl 2-(3-chlorosulfonylphenyl)acetate |
| InChI | InChI=1S/C10H11ClO4S/c1-2-15-10(12)7-8-4-3-5-9(6-8)16(11,13)14/h3-6H,2,7H2,1H3 |
| InChI Key | QPZRMBNQECBUGT-UHFFFAOYSA-N |
| MDL Number | MFCD20389813 |
| Molecular Formula | C10H11ClO4S |
| Molecular Weight | 262.7099 |
| SMILES | O=C(OCC)CC1=CC=CC(S(=O)(Cl)=O)=C1 |
| Synonyms | ethyl 2-[3-(chlorosulfonyl)phenyl]acetate,
1190373-83-1,
(3-chlorosulfonyl-phenyl)acetic acid ethyl ester,
AKOS014009952,
ZINC108307722,
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| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.704g/mol |
| Monoisotopic Mass | 262.007g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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