| CAS Number | 1243250-22-7 |
| Catalog Number | AG009DZ2(AGN-PC-0WB5TW) |
| Chemical Name | 3-(Methoxymethyl)piperidine-1-sulfonyl chloride |
| IUPAC Name | 3-(methoxymethyl)piperidine-1-sulfonyl chloride |
| InChI | InChI=1S/C7H14ClNO3S/c1-12-6-7-3-2-4-9(5-7)13(8,10)11/h7H,2-6H2,1H3 |
| InChI Key | LTPIHPPQDGDSLR-UHFFFAOYSA-N |
| MDL Number | MFCD17078869 |
| Molecular Formula | C7H14ClNO3S |
| Molecular Weight | 227.7090 |
| SMILES | S(Cl)(=O)(=O)N1CCCC(COC)C1 |
| Synonyms | 1243250-22-7,
3-(Methoxymethyl)piperidine-1-sulfonyl chloride,
(3-Methoxymethyl)-1-piperidinesulfonyl chloride,
3-(methoxymethyl)-1-piperidinesulfonyl chloride,
MFCD17078869,
AKOS006333141,
Y-7767,
3-(methoxymethyl)-1-piperidinesulfonyl chloride(SALTDATA,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.703g/mol |
| Monoisotopic Mass | 227.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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