| CAS Number | 1443980-16-2 |
| Catalog Number | AG01A5L2 |
| Chemical Name | 5-methoxy-4-(2-methylbutoxy)-2-nitrobenzaldehyde |
| IUPAC Name | 5-methoxy-4-(2-methylbutoxy)-2-nitrobenzaldehyde |
| InChI | InChI=1S/C13H17NO5/c1-4-9(2)8-19-13-6-11(14(16)17)10(7-15)5-12(13)18-3/h5-7,9H,4,8H2,1-3H3 |
| InChI Key | OIFLLIWFCBKKSN-UHFFFAOYSA-N |
| MDL Number | MFCD17439984 |
| Molecular Formula | C13H17NO5 |
| Molecular Weight | 267.2778 |
| SMILES | CCC(COC1=C(OC)C=C(C=O)C([N+]([O-])=O)=C1)C |
| Synonyms | 5-methoxy-4-(2-methylbutoxy)-2-nitrobenzaldehyde,
1443980-16-2,
AKOS011383126,
NE62691,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.281g/mol |
| Monoisotopic Mass | 267.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number