7-(Difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl chloride - CAS 886494-08-2
Catalog: |
BB045630 |
Product Name: |
7-(Difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl chloride |
CAS: |
886494-08-2 |
Synonyms: |
7-(difluoromethyl)-5-methyl-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine-2-carbonyl chloride; [1,2,4]Triazolo[1,5-a]pyrimidine-2-carbonyl chloride, 7-(difluoromethyl)-5-methyl |
IUPAC Name: | 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl chloride |
Description: | 7-(Difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl chloride (CAS# 886494-08-2 ) is a useful research chemical. |
Molecular Weight: | 246.60 |
Molecular Formula: | C8H5ClF2N4O |
Canonical SMILES: | CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)Cl |
InChI: | InChI=1S/C8H5ClF2N4O/c1-3-2-4(6(10)11)15-8(12-3)13-7(14-15)5(9)16/h2,6H,1H3 |
InChI Key: | QVVKESJWRYJWAH-UHFFFAOYSA-N |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.0119948 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.0119948 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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