| CAS Number | 1184581-60-9 |
| Catalog Number | AG00946O(AGN-PC-0WNN2V) |
| Chemical Name | 4-Nitro-N-propyl-2-(trifluoromethyl)aniline |
| IUPAC Name | 4-nitro-N-propyl-2-(trifluoromethyl)aniline |
| InChI | InChI=1S/C10H11F3N2O2/c1-2-5-14-9-4-3-7(15(16)17)6-8(9)10(11,12)13/h3-4,6,14H,2,5H2,1H3 |
| InChI Key | JNKHTJZKQWKONE-UHFFFAOYSA-N |
| MDL Number | MFCD12876513 |
| Molecular Formula | C10H11F3N2O2 |
| Molecular Weight | 248.2017 |
| SMILES | CCCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-] |
| Synonyms | 4-nitro-N-propyl-2-(trifluoromethyl)aniline,
1184581-60-9,
ZINC37754773,
AKOS005935798,
Z7913,
C10H11F3N2O2,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.205g/mol |
| Monoisotopic Mass | 248.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number