5-Fluoro-2-(1H-tetrazol-1-yl)aniline - CAS 869942-04-1
Catalog: |
BB049694 |
Product Name: |
5-Fluoro-2-(1H-tetrazol-1-yl)aniline |
CAS: |
869942-04-1 |
Synonyms: |
5-fluoro-2-(1,2,3,4-tetraazolyl)phenylamine |
IUPAC Name: | 5-fluoro-2-(tetrazol-1-yl)aniline |
Description: | 5-Fluoro-2-(1H-tetrazol-1-yl)aniline (CAS# 869942-04-1 ) is a useful research chemical. |
Molecular Weight: | 179.15 |
Molecular Formula: | C7H6FN5 |
Canonical SMILES: | C1=CC(=C(C=C1F)N)N2C=NN=N2 |
InChI: | InChI=1S/C7H6FN5/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H,9H2 |
InChI Key: | HSOXEAYKALRKLH-UHFFFAOYSA-N |
Boiling Point: | 359.9±52.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.06072337 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.06072337 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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