4-(7-Trifluoromethyl-pyrazolo[1,5-a]pyrimidin-5-yl)-phenol - CAS 861435-10-1
Catalog: |
BB049353 |
Product Name: |
4-(7-Trifluoromethyl-pyrazolo[1,5-a]pyrimidin-5-yl)-phenol |
CAS: |
861435-10-1 |
Synonyms: |
4-(7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl)phenol |
IUPAC Name: | 4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol |
Description: | 4-(7-Trifluoromethyl-pyrazolo[1,5-a]pyrimidin-5-yl)-phenol (CAS# 861435-10-1 ) is a useful research chemical. |
Molecular Weight: | 279.22 |
Molecular Formula: | C13H8F3N3O |
Canonical SMILES: | C1=CC(=CC=C1C2=NC3=CC=NN3C(=C2)C(F)(F)F)O |
InChI: | InChI=1S/C13H8F3N3O/c14-13(15,16)11-7-10(8-1-3-9(20)4-2-8)18-12-5-6-17-19(11)12/h1-7,20H |
InChI Key: | JWRVQRBHFWNQSV-UHFFFAOYSA-N |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.06194637 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.06194637 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Related Functional Groups
Halides
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[2367-82-0]C6H2F4
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