3-(Difluoromethyl)-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 832739-32-9
Catalog: |
BB045864 |
Product Name: |
3-(Difluoromethyl)-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
832739-32-9 |
Synonyms: |
3-Difluoromethyl-6-(2,4-difluoro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
IUPAC Name: | 3-(difluoromethyl)-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 3-(Difluoromethyl)-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 832739-32-9 ) is a useful research chemical. |
Molecular Weight: | 302.25 |
Molecular Formula: | C11H6F4N4S |
Canonical SMILES: | C1C(=NN2C(=NN=C2S1)C(F)F)C3=C(C=C(C=C3)F)F |
InChI: | InChI=1S/C11H6F4N4S/c12-5-1-2-6(7(13)3-5)8-4-20-11-17-16-10(9(14)15)19(11)18-8/h1-3,9H,4H2 |
InChI Key: | SENVARVUHJWEJO-UHFFFAOYSA-N |
Boiling Point: | 415.7±55.0 °C at 760 mmHg |
Density: | 1.7±0.1 g/cm3 |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.02493003 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.02493003 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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