| CAS Number | 92241-87-7 |
| Catalog Number | AG0061CP(AGN-PC-0NF9T4) |
| Chemical Name | Benzamide, 3-methoxy-4-nitro- |
| IUPAC Name | 3-methoxy-4-nitrobenzamide |
| InChI | InChI=1S/C8H8N2O4/c1-14-7-4-5(8(9)11)2-3-6(7)10(12)13/h2-4H,1H3,(H2,9,11) |
| InChI Key | HBEDVMJPLSCWPI-UHFFFAOYSA-N |
| MDL Number | MFCD18398357 |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.1601 |
| SMILES | COc1cc(ccc1[N+](=O)[O-])C(=O)N |
| Synonyms | 3-methoxy-4-nitrobenzamide,
92241-87-7,
Benzamide, 3-methoxy-4-nitro-,
3-methoxy-4-nitro-benzamide,
ACMC-20lvoq,
SCHEMBL223645,
CHEMBL468432,
3-(methyloxy)-4-nitrobenzamide,
CTK3H0530,
DTXSID80453833,
HBEDVMJPLSCWPI-UHFFFAOYSA-N,
MFCD18398357,
ZINC34622432,
AKOS015991587,
NE59710,
NF-0718,
KS-000029S8,
FT-0753609,
CID11063338,
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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 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number