| CAS Number | 1355247-76-5 |
| Catalog Number | AG007LDO(AGN-PC-0J2C4Z) |
| Chemical Name | 4-Bromo-5-ethoxy-N-methyl-2-nitroaniline |
| IUPAC Name | 4-bromo-5-ethoxy-N-methyl-2-nitroaniline |
| InChI | InChI=1S/C9H11BrN2O3/c1-3-15-9-5-7(11-2)8(12(13)14)4-6(9)10/h4-5,11H,3H2,1-2H3 |
| InChI Key | IYHRUJIIFUWIHL-UHFFFAOYSA-N |
| MDL Number | MFCD21332913 |
| Molecular Formula | C9H11BrN2O3 |
| Molecular Weight | 275.0992 |
| SMILES | CCOc1cc(NC)c(cc1Br)[N+](=O)[O-] |
| Synonyms | 4-Bromo-5-ethoxy-N-methyl-2-nitroaniline,
1355247-76-5,
ACMC-209c2g,
CTK8B0405,
DTXSID70742783,
ANW-19910,
MFCD21332913,
ZINC85476915,
CJ-22383,
TC-108655,
Z9990,
B-8887,
C9H11BrN2O3,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.102g/mol |
| Monoisotopic Mass | 273.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number