3-Iodo-5-(trifluoromethyl)pyridin-2-yl trifluoromethanesulfonate - CAS 1261365-51-8
Catalog: |
BB060669 |
Product Name: |
3-Iodo-5-(trifluoromethyl)pyridin-2-yl trifluoromethanesulfonate |
CAS: |
1261365-51-8 |
Synonyms: |
3-Iodo-5-(trifluoromethyl)pyridin-2-yl trifluoromethanesulfonate; 3-Iodo-5-(trifluoromethyl)pyridin-2-yltrifluoromethanesulfonate; [3-iodo-5-(trifluoromethyl)pyridin-2-yl] trifluoromethanesulfonate |
IUPAC Name: | [3-iodo-5-(trifluoromethyl)pyridin-2-yl] trifluoromethanesulfonate |
Description: | 3-Iodo-5-(trifluoromethyl)pyridin-2-yl trifluoromethanesulfonate |
Molecular Weight: | 421.06 |
Molecular Formula: | C7H2F6INO3S |
Canonical SMILES: | C1=C(C=NC(=C1I)OS(=O)(=O)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C7H2F6INO3S/c8-6(9,10)3-1-4(14)5(15-2-3)18-19(16,17)7(11,12)13/h1-2H |
InChI Key: | AIZAOBDXVQHJDQ-UHFFFAOYSA-N |
Complexity: | 416 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 420.87043 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 420.87043 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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