3-[Chloro(difluoro)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 832739-98-7
Catalog: |
BB045870 |
Product Name: |
3-[Chloro(difluoro)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
832739-98-7 |
Synonyms: |
3-(Chloro-difluoro-methyl)-6-phenyl-7H-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazine; 3-(Chlorodifluoromethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
IUPAC Name: | 3-[chloro(difluoro)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 3-[Chloro(difluoro)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 832739-98-7 ) is a useful research chemical. |
Molecular Weight: | 300.72 |
Molecular Formula: | C11H7ClF2N4S |
Canonical SMILES: | C1C(=NN2C(=NN=C2S1)C(F)(F)Cl)C3=CC=CC=C3 |
InChI: | InChI=1S/C11H7ClF2N4S/c12-11(13,14)9-15-16-10-18(9)17-8(6-19-10)7-4-2-1-3-5-7/h1-5H,6H2 |
InChI Key: | NABUMOGHLHWVFL-UHFFFAOYSA-N |
Boiling Point: | 410.9±55.0 ℃ at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 376 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.0048014 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.0048014 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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