3-[Chloro(difluoro)methyl]-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 832740-34-8
Catalog: |
BB045869 |
Product Name: |
3-[Chloro(difluoro)methyl]-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
832740-34-8 |
Synonyms: |
3-(chloro-difluoro-methyl)-6-methyl-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; 3-(Chlorodifluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
IUPAC Name: | 3-[chloro(difluoro)methyl]-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 3-[Chloro(difluoro)methyl]-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 832740-34-8 ) is a useful research chemical. |
Molecular Weight: | 238.65 |
Molecular Formula: | C6H5ClF2N4S |
Canonical SMILES: | CC1=NN2C(=NN=C2SC1)C(F)(F)Cl |
InChI: | InChI=1S/C6H5ClF2N4S/c1-3-2-14-5-11-10-4(6(7,8)9)13(5)12-3/h2H2,1H3 |
InChI Key: | PGDQFCLDQOIUPM-UHFFFAOYSA-N |
Boiling Point: | 320.1±52.0 °C at 760 mmHg |
Density: | 1.8±0.1 g/cm3 |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.9891514 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.9891514 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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