| CAS Number | 878160-13-5 |
| Catalog Number | AG004HEO(AGN-PC-0BIJ0B) |
| Chemical Name | 3-Methoxy-N-methyl-4-nitrobenzamide |
| IUPAC Name | 3-methoxy-N-methyl-4-nitrobenzamide |
| InChI | InChI=1S/C9H10N2O4/c1-10-9(12)6-3-4-7(11(13)14)8(5-6)15-2/h3-5H,1-2H3,(H,10,12) |
| InChI Key | AOQDJNLPLPYKIN-UHFFFAOYSA-N |
| MDL Number | MFCD19303963 |
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.1867 |
| SMILES | CNC(C1=CC(OC)=C([N+]([O-])=O)C=C1)=O |
| Synonyms | 3-Methoxy-N-methyl-4-nitrobenzamide,
878160-13-5,
Benzamide, 3-methoxy-N-methyl-4-nitro-,
SCHEMBL3801116,
CTK3C1672,
DTXSID00718633,
AOQDJNLPLPYKIN-UHFFFAOYSA-N,
ZINC71405329,
3-methoxy-N-methyl-4-nitro-benzamide,
AKOS016360157,
MCULE-9633089855,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.189g/mol |
| Monoisotopic Mass | 210.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number