5-Bromo-3-iodopyridin-2-yl trifluoromethanesulfonate - CAS 1261365-85-8
Catalog: |
BB071602 |
Product Name: |
5-Bromo-3-iodopyridin-2-yl trifluoromethanesulfonate |
CAS: |
1261365-85-8 |
Synonyms: |
5-Bromo-3-iodopyridin-2-yl trifluoromethanesulfonate; (5-bromo-3-iodopyridin-2-yl) trifluoromethanesulfonate; 5-Bromo-3-iodopyridin-2-yltrifluoromethanesulfonate; 5-Bromo-3-iodopyridin-2-yl trifluoromethanesulfonate, AldrichCPR |
IUPAC Name: | (5-bromo-3-iodopyridin-2-yl) trifluoromethanesulfonate |
Description: | 5-Bromo-3-iodopyridin-2-yl trifluoromethanesulfonate |
Molecular Weight: | 431.95 |
Molecular Formula: | C6H2BrF3INO3S |
Canonical SMILES: | C1=C(C=NC(=C1I)OS(=O)(=O)C(F)(F)F)Br |
InChI: | InChI=1S/C6H2BrF3INO3S/c7-3-1-4(11)5(12-2-3)15-16(13,14)6(8,9)10/h1-2H |
InChI Key: | USVMWSIFPZZPJV-UHFFFAOYSA-N |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 430.79356 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 430.79356 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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