5-Fluoro-2-(1H-1,2,4-triazol-1-yl)aniline - CAS 869942-02-9
Catalog: |
BB049704 |
Product Name: |
5-Fluoro-2-(1H-1,2,4-triazol-1-yl)aniline |
CAS: |
869942-02-9 |
Synonyms: |
5-fluoro-2-(1,2,4-triazolyl)phenylamine |
IUPAC Name: | 5-fluoro-2-(1,2,4-triazol-1-yl)aniline |
Description: | 5-Fluoro-2-(1H-1,2,4-triazol-1-yl)aniline (CAS# 869942-02-9 ) is a useful research chemical. |
Molecular Weight: | 178.17 |
Molecular Formula: | C8H7FN4 |
Canonical SMILES: | C1=CC(=C(C=C1F)N)N2C=NC=N2 |
InChI: | InChI=1S/C8H7FN4/c9-6-1-2-8(7(10)3-6)13-5-11-4-12-13/h1-5H,10H2 |
InChI Key: | DJOJGYWPJKAVTO-UHFFFAOYSA-N |
Boiling Point: | 362.0±52.0 °C (Predicted) |
Density: | 1.43±0.1 g/cm3(Predicted) |
Appearance: | Solid |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.0654744 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.0654744 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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