| CAS Number | 314755-31-2 |
| Catalog Number | AG00CLUP(AGN-PC-0WOHXA) |
| Chemical Name | N-ethyl-5-methoxy-2-nitroaniline |
| IUPAC Name | N-ethyl-5-methoxy-2-nitroaniline |
| InChI | InChI=1S/C9H12N2O3/c1-3-10-8-6-7(14-2)4-5-9(8)11(12)13/h4-6,10H,3H2,1-2H3 |
| InChI Key | YKGNYGWCOUUMAI-UHFFFAOYSA-N |
| MDL Number | MFCD00570802 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | CCNc1cc(OC)ccc1[N+](=O)[O-] |
| Synonyms | N-ethyl-5-methoxy-2-nitroaniline,
314755-31-2,
AC1MQHTT,
Oprea1_557322,
SCHEMBL2013684,
YKGNYGWCOUUMAI-UHFFFAOYSA-N,
ZINC4314373,
AKOS017582380,
2-(Ethylamino)-4-methoxy-nitrobenzene,
V5102,
C9H12N2O3,
N-ethyl-5-methoxy-2-nitro-aniline,
CID3502019,
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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 | 2.6 |
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Certificate of Analysis
Lot Number