3-[Chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 832739-42-1
Catalog: |
BB045868 |
Product Name: |
3-[Chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
832739-42-1 |
Synonyms: |
3-(chloro-difluoro-methyl)-6-(2,4-difluoro-phenyl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; 3-(Chlorodifluoromethyl)-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
IUPAC Name: | 3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 3-[Chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 832739-42-1 ) is a useful research chemical. |
Molecular Weight: | 336.7 |
Molecular Formula: | C11H5ClF4N4S |
Canonical SMILES: | C1C(=NN2C(=NN=C2S1)C(F)(F)Cl)C3=C(C=C(C=C3)F)F |
InChI: | InChI=1S/C11H5ClF4N4S/c12-11(15,16)9-17-18-10-20(9)19-8(4-21-10)6-2-1-5(13)3-7(6)14/h1-3H,4H2 |
InChI Key: | KVXOYSUZHPBORH-UHFFFAOYSA-N |
Boiling Point: | 401.3±55.0 °C at 760 mmHg |
Density: | 1.8±0.1 g/cm3 |
Complexity: | 440 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 335.9859577 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 335.9859577 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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