3-[Chloro(difluoro)methyl]-6-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 832739-69-2
Catalog: |
BB045871 |
Product Name: |
3-[Chloro(difluoro)methyl]-6-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
832739-69-2 |
Synonyms: |
3-(chloro-difluoro-methyl)-6-(2,4-dichloro-phenyl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; 3-(Chlorodifluoromethyl)-6-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
IUPAC Name: | 3-[chloro(difluoro)methyl]-6-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 3-[Chloro(difluoro)methyl]-6-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 832739-69-2 ) is a useful research chemical. |
Molecular Weight: | 369.6 |
Molecular Formula: | C11H5Cl3F2N4S |
Canonical SMILES: | C1C(=NN2C(=NN=C2S1)C(F)(F)Cl)C3=C(C=C(C=C3)Cl)Cl |
InChI: | InChI=1S/C11H5Cl3F2N4S/c12-5-1-2-6(7(13)3-5)8-4-21-10-18-17-9(11(14,15)16)20(10)19-8/h1-3H,4H2 |
InChI Key: | GSFGNTFLRDIVMR-UHFFFAOYSA-N |
Boiling Point: | 462.0±55.0 °C at 760 mmHg |
Density: | 1.8±0.1 g/cm3 |
Complexity: | 442 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 367.926857 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 367.926857 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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