7-(Trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 473994-56-8
Catalog: |
BB042680 |
Product Name: |
7-(Trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
473994-56-8 |
Synonyms: |
7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylicacid |
IUPAC Name: | 7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 7-(Trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS# 473994-56-8 ) is a useful research chemical. |
Molecular Weight: | 232.12 |
Molecular Formula: | C7H3F3N4O2 |
Canonical SMILES: | C1=C(N2C(=NC(=N2)C(=O)O)N=C1)C(F)(F)F |
InChI: | InChI=1S/C7H3F3N4O2/c8-7(9,10)3-1-2-11-6-12-4(5(15)16)13-14(3)6/h1-2H,(H,15,16) |
InChI Key: | HCOBGRMQYYDATD-UHFFFAOYSA-N |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.02080984 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.02080984 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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