| CAS Number | 734546-52-2 |
| Catalog Number | AG019IGB |
| Chemical Name | 3-Methoxy-4-[2-nitro-4-(piperidine-1-sulfonyl)phenoxy]benzaldehyde |
| IUPAC Name | 3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzaldehyde |
| InChI | InChI=1S/C19H20N2O7S/c1-27-19-11-14(13-22)5-7-18(19)28-17-8-6-15(12-16(17)21(23)24)29(25,26)20-9-3-2-4-10-20/h5-8,11-13H,2-4,9-10H2,1H3 |
| InChI Key | ZNSVDZWNRNZRNI-UHFFFAOYSA-N |
| MDL Number | MFCD04612890 |
| Molecular Formula | C19H20N2O7S |
| Molecular Weight | 420.4363 |
| SMILES | COC1=C(OC2=C([N+]([O-])=O)C=C(S(N3CCCCC3)(=O)=O)C=C2)C=CC(C=O)=C1 |
| Synonyms | 3-methoxy-4-[2-nitro-4-(piperidine-1-sulfonyl)phenoxy]benzaldehyde,
734546-52-2,
3-Methoxy-4-[2-nitro-4-(piperidine-1-sulfonyl)-phenoxy]-benzaldehyde,
AC1MON9A,
AC1Q472Y,
CTK6J5952,
ZINC3886632,
AKOS000914200,
MCULE-1995363188,
NE12880,
EN300-06636,
SR-01000045330,
SR-01000045330-1,
3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzaldehyde,
ZINC03886632,
CID3371822,
|
| Complexity | 669 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 420.436g/mol |
| Monoisotopic Mass | 420.099g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number