| CAS Number | 1207-59-6 |
| Catalog Number | AG009R2O(AGN-PC-0N4J9S) |
| Chemical Name | 2,5-Dimethoxy-4-nitrobenzaldehyde |
| IUPAC Name | 2,5-dimethoxy-4-nitrobenzaldehyde |
| InChI | InChI=1S/C9H9NO5/c1-14-8-4-7(10(12)13)9(15-2)3-6(8)5-11/h3-5H,1-2H3 |
| InChI Key | MZUYNPXWLAMCAG-UHFFFAOYSA-N |
| MDL Number | MFCD22054475 |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| SMILES | O=[N+]([O-])C1(=C(OC)C=C(C=O)C(=C1)OC) |
| Synonyms | 2,5-dimethoxy-4-nitrobenzaldehyde,
1207-59-6,
Benzaldehyde, 2,5-dimethoxy-4-nitro-,
SCHEMBL19331554,
CTK0F8603,
DTXSID20439979,
ZINC38867195,
AKOS005063026,
LH-0732,
KS-000027L1,
OR310370,
2,5-dimethoxy-4-nitro-benzaldehyde,
CID10443121,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.173g/mol |
| Monoisotopic Mass | 211.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number