| CAS Number | 1243250-01-2 |
| Catalog Number | AG009DZ5(AGN-PC-0WB5TK) |
| Chemical Name | 4-(Methoxymethyl)-1-piperidinesulfonyl chloride |
| IUPAC Name | 4-(methoxymethyl)piperidine-1-sulfonyl chloride |
| InChI | InChI=1S/C7H14ClNO3S/c1-12-6-7-2-4-9(5-3-7)13(8,10)11/h7H,2-6H2,1H3 |
| InChI Key | HWRFPNJBYLPNNW-UHFFFAOYSA-N |
| MDL Number | MFCD17078859 |
| Molecular Formula | C7H14ClNO3S |
| Molecular Weight | 227.7090 |
| SMILES | S(Cl)(=O)(=O)N1CCC(CC1)COC |
| Synonyms | 1243250-01-2,
4-(Methoxymethyl)-1-piperidinesulfonyl chloride,
4-(Methoxymethyl)piperidine-1-sulfonyl chloride,
SCHEMBL18985998,
MFCD17078859,
AKOS013287468,
ZINC100153083,
Y-7758,
4-(methoxymethyl)-1-piperidinesulfonyl chloride(SALTDATA,
|
| Complexity | 241 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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