| CAS Number | 303977-18-6 |
| Catalog Number | AG002ZZ3(AGN-PC-0WG36X) |
| Chemical Name | 4-Piperidinol, 1-(4-nitrophenyl)-, 4-methanesulfonate |
| IUPAC Name | [1-(4-nitrophenyl)piperidin-4-yl] methanesulfonate |
| InChI | InChI=1S/C12H16N2O5S/c1-20(17,18)19-12-6-8-13(9-7-12)10-2-4-11(5-3-10)14(15)16/h2-5,12H,6-9H2,1H3 |
| InChI Key | XEXKLYWORMEHAP-UHFFFAOYSA-N |
| MDL Number | MFCD28405561 |
| Molecular Formula | C12H16N2O5S |
| Molecular Weight | 300.3308 |
| SMILES | CS(=O)(OC1CCN(C2=CC=C([N+]([O-])=O)C=C2)CC1)=O |
| Synonyms | 1-(4-Nitrophenyl)piperidin-4-yl methanesulfonate,
303977-18-6,
SCHEMBL6133189,
XEXKLYWORMEHAP-UHFFFAOYSA-N,
KS-00000TF0,
MFCD28405561,
AKOS027252781,
ZINC142363991,
AK201868,
DS-10284,
4-[4-(methanesulfonyloxy)piperidin-1-yl]nitrobenzene,
4-Piperidinol, 1-(4-nitrophenyl)-, 4-methanesulfonate,
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| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.329g/mol |
| Monoisotopic Mass | 300.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number