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| IUPAC Name: | 1,2-dichloro-4-nitro-5-(trifluoromethyl)benzene |
| Description: | 4,5-Dichloro-2-nitrobenzotrifluoride (CAS# 50594-31-5) is used as a reagent in the synthesis of N-thiadiazolylaniline compounds that have cytotoxic properties and inhibit tumor cell growth. |
| Molecular Weight: | 260.00 |
| Molecular Formula: | C7H2Cl2F3NO2 |
| Canonical SMILES: | C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])C(F)(F)F |
| InChI: | InChI=1S/C7H2Cl2F3NO2/c8-4-1-3(7(10,11)12)6(13(14)15)2-5(4)9/h1-2H |
| InChI Key: | MMUARSWOJRDXBV-UHFFFAOYSA-N |
| Boiling Point: | 256.4 ℃ at 760 mmHg |
| Density: | 1.638 g/cm3 |
| MDL: | MFCD00236666 |
| LogP: | 4.44360 |
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