| CAS Number | 1339134-87-0 |
| Catalog Number | AG00HT3A(AGN-PC-0WNR3Z) |
| Chemical Name | 3-Ethoxy-N-methyl-4-nitroaniline |
| IUPAC Name | 3-ethoxy-N-methyl-4-nitroaniline |
| InChI | InChI=1S/C9H12N2O3/c1-3-14-9-6-7(10-2)4-5-8(9)11(12)13/h4-6,10H,3H2,1-2H3 |
| InChI Key | CVAINZLPPLCASF-UHFFFAOYSA-N |
| MDL Number | MFCD18861025 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | CCOc1cc(NC)ccc1[N+](=O)[O-] |
| Synonyms | 3-ethoxy-N-methyl-4-nitroaniline,
1339134-87-0,
ZINC82523337,
AKOS012981240,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.206g/mol |
| Monoisotopic Mass | 196.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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