| CAS Number | 1437794-70-1 |
| Catalog Number | AG00AQJK(AGN-PC-0WAEJO) |
| Chemical Name | N-Cyclopropyl-5-methoxy-2-nitroaniline |
| IUPAC Name | N-cyclopropyl-5-methoxy-2-nitroaniline |
| InChI | InChI=1S/C10H12N2O3/c1-15-8-4-5-10(12(13)14)9(6-8)11-7-2-3-7/h4-7,11H,2-3H2,1H3 |
| InChI Key | DLLXIKJLPCYMOP-UHFFFAOYSA-N |
| MDL Number | MFCD23727130 |
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.2139 |
| SMILES | COc1ccc(c(c1)NC1CC1)[N+](=O)[O-] |
| Synonyms | N-Cyclopropyl-5-methoxy-2-nitroaniline,
1437794-70-1,
SCHEMBL20337736,
ZINC85481047,
AKOS017582399,
V3286,
C10H12N2O3,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.217g/mol |
| Monoisotopic Mass | 208.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number