5-Fluoro-2-methyl-4-nitroaniline - CAS 633327-50-1
Catalog: |
BB032103 |
Product Name: |
5-Fluoro-2-methyl-4-nitroaniline |
CAS: |
633327-50-1 |
Synonyms: |
5-fluoro-2-methyl-4-nitroaniline; 5-fluoro-2-methyl-4-nitroaniline |
IUPAC Name: | 5-fluoro-2-methyl-4-nitroaniline |
Description: | 5-Fluoro-2-methyl-4-nitroaniline (CAS# 633327-50-1) is a useful research chemical. |
Molecular Weight: | 170.14 |
Molecular Formula: | C7H7FN2O2 |
Canonical SMILES: | CC1=CC(=C(C=C1N)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7FN2O2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,9H2,1H3 |
InChI Key: | RZRYLRYVZYEYNR-UHFFFAOYSA-N |
Boiling Point: | 344.4 °C at 760 mmHg |
Density: | 1.371 g/cm3 |
LogP: | 2.72890 |
Publication Number | Title | Priority Date |
CA-3103120-A1 | Chemical compounds | 20191220 |
US-2021188829-A1 | Chemical Compounds | 20191220 |
WO-2021124155-A1 | Benzimidazole derivatives | 20191220 |
DE-102014215483-A1 | "New oxidation dye precursors of the oxy, thio and aza-bisbenzene type" | 20140806 |
WO-2016020110-A1 | Oxy-, thio- and azo- bis-benzene type oxidation dye precursors | 20140806 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.04915563 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.04915563 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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