| CAS Number | 1211578-13-0 |
| Catalog Number | AG00IT3O(AGN-PC-0WB0RJ) |
| Chemical Name | 3-iodo-N-methoxy-N-methyl-5-nitrobenzamide |
| IUPAC Name | 3-iodo-N-methoxy-N-methyl-5-nitrobenzamide |
| InChI | InChI=1S/C9H9IN2O4/c1-11(16-2)9(13)6-3-7(10)5-8(4-6)12(14)15/h3-5H,1-2H3 |
| InChI Key | CAPJJQUIPOALAQ-UHFFFAOYSA-N |
| MDL Number | MFCD20921589 |
| Molecular Formula | C9H9IN2O4 |
| Molecular Weight | 336.0832 |
| SMILES | IC1(=CC([N+](=O)[O-])=CC(=C1)C(=O)N(OC)C) |
| Synonyms | 3-iodo-N-methoxy-N-methyl-5-nitrobenzamide,
1211578-13-0,
iodomethoxymethylnitrobenzamide,
KS-000027JD,
MFCD20921589,
ZINC71789016,
AKOS015991529,
LF-0228,
RP16717,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.085g/mol |
| Monoisotopic Mass | 335.961g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number