| CAS Number | 722538-98-9 |
| Catalog Number | AG00IC90(AGN-PC-0WQZRX) |
| Chemical Name | 2-Methoxy-3-nitrobenzamide |
| IUPAC Name | 2-methoxy-3-nitrobenzamide |
| InChI | InChI=1S/C8H8N2O4/c1-14-7-5(8(9)11)3-2-4-6(7)10(12)13/h2-4H,1H3,(H2,9,11) |
| InChI Key | VGIYIBRECHOFLC-UHFFFAOYSA-N |
| MDL Number | MFCD18398355 |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.1601 |
| SMILES | COc1c(cccc1[N+](=O)[O-])C(=O)N |
| Synonyms | 2-methoxy-3-nitrobenzamide,
722538-98-9,
Benzamide, 2-methoxy-3-nitro-,
SCHEMBL15671563,
VGIYIBRECHOFLC-UHFFFAOYSA-N,
CS-0077319,
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| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.162g/mol |
| Monoisotopic Mass | 196.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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