7-(Difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid - CAS 1160246-22-9
Catalog: |
BB042934 |
Product Name: |
7-(Difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid |
CAS: |
1160246-22-9 |
Synonyms: |
SBB026872; STK510278 |
IUPAC Name: | 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid |
Description: | 7-(Difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (CAS# 1160246-22-9 ) is a useful research chemical. |
Molecular Weight: | 214.13 |
Molecular Formula: | C7H4F2N4O2 |
Canonical SMILES: | C1=NC2=NC=NN2C(=C1C(=O)O)C(F)F |
InChI: | InChI=1S/C7H4F2N4O2/c8-5(9)4-3(6(14)15)1-10-7-11-2-12-13(4)7/h1-2,5H,(H,14,15) |
InChI Key: | ZUNGQBVJRKUYJD-UHFFFAOYSA-N |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.03023171 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.03023171 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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