Sodium 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate - CAS 1147198-16-0
Catalog: |
BB049717 |
Product Name: |
Sodium 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
CAS: |
1147198-16-0 |
Synonyms: |
Sodium 5-phenyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate |
Related CAS: | 312635-16-8 (free aicd)
|
IUPAC Name: | sodium;5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
Description: | Sodium 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS# 1147198-16-0 ) is a useful research chemical. |
Molecular Weight: | 329.21 |
Molecular Formula: | C14H7F3N3NaO2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)[O-].[Na+] |
InChI: | InChI=1S/C14H8F3N3O2.Na/c15-14(16,17)11-6-10(8-4-2-1-3-5-8)19-12-9(13(21)22)7-18-20(11)12;/h1-7H,(H,21,22);/q;+1/p-1 |
InChI Key: | SZCAXUMCYZTDGV-UHFFFAOYSA-M |
Complexity: | 432 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.03880524 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.03880524 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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