2-(Trifluoromethyl)pyrimidine-5-carbonitrile - CAS 1032229-36-9
Catalog: |
BB044570 |
Product Name: |
2-(Trifluoromethyl)pyrimidine-5-carbonitrile |
CAS: |
1032229-36-9 |
Synonyms: |
2-trifluoromethylpyrimidine-5-carbonitrile; 5-Pyrimidinecarbonitrile, 2-(trifluoromethyl)-; 2-(Trifluoromethyl)-5-pyrimidinecarbonitrile |
IUPAC Name: | 2-(trifluoromethyl)pyrimidine-5-carbonitrile |
Description: | 2-(Trifluoromethyl)pyrimidine-5-carbonitrile (CAS# 1032229-36-9 ) is a useful research chemical. |
Molecular Weight: | 173.10 |
Molecular Formula: | C6H2F3N3 |
Canonical SMILES: | C1=C(C=NC(=N1)C(F)(F)F)C#N |
InChI: | InChI=1S/C6H2F3N3/c7-6(8,9)5-11-2-4(1-10)3-12-5/h2-3H |
InChI Key: | IGNHQIRJJFLMDF-UHFFFAOYSA-N |
Boiling Point: | 160.9±40.0 °C (Predicted) |
Purity: | ≥ 96 % |
Density: | 1.46±0.1 g/cm3 (Predicted) |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.02008156 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.02008156 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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