5-Chloro-2-nitro-4-(trifluoromethyl)aniline - CAS 35375-74-7
Catalog: |
BB022625 |
Product Name: |
5-Chloro-2-nitro-4-(trifluoromethyl)aniline |
CAS: |
35375-74-7 |
Synonyms: |
5-chloro-2-nitro-4-(trifluoromethyl)aniline; 5-chloro-2-nitro-4-(trifluoromethyl)aniline |
IUPAC Name: | 5-chloro-2-nitro-4-(trifluoromethyl)aniline |
Description: | 5-Chloro-2-nitro-4-(trifluoromethyl)aniline (CAS# 35375-74-7) is a reagent used in the preparation of fused imidazole biocides. |
Molecular Weight: | 240.57 |
Molecular Formula: | C7H4ClF3N2O2 |
Canonical SMILES: | C1=C(C(=CC(=C1[N+](=O)[O-])N)Cl)C(F)(F)F |
InChI: | InChI=1S/C7H4ClF3N2O2/c8-4-2-5(12)6(13(14)15)1-3(4)7(9,10)11/h1-2H,12H2 |
InChI Key: | AAMCWLIPRMIPBN-UHFFFAOYSA-N |
Boiling Point: | 310.7 °C at 760 mmHg |
Density: | 1.614 g/cm3 |
MDL: | MFCD01312277 |
LogP: | 3.95360 |
Publication Number | Title | Priority Date |
WO-2021055591-A1 | Substituted benzimidazole carboxamides and their use in the treatment of medical disorders | 20190917 |
WO-2020225569-A1 | Phenyl-sulfamoyl.benzoyc acids as erap1 modulators | 20190509 |
AU-2017316742-A1 | Antibiotic compounds | 20160822 |
CA-3034000-A1 | Antibiotic compounds | 20160822 |
EP-3500567-A1 | Antibiotic compounds | 20160822 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.9913396 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.9913396 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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