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Home> Hot Product Listed R   > (R)-2-iodo-3-(iodomethyl)but-1-ene
1138450-30-2 structure

(R)-2-iodo-3-(iodomethyl)but-1-ene

Iupac Name:[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]boronic acid
CAS No.:1138450-30-2
Molecular Weight:193.92
Molecular Formula:C11H13CLN2O2 (isomer)
Names and Identifiers
Synonyms

(3R)-2,4-diiodo-3-methylbut-1-ene (R)-2,4-diiodo-3-methylbut-1-ene

Inchi
InChI=1S/C5H6BF3N2O2/c1-11-2-3(6(12)13)4(10-11)5(7,8)9/h2,12-13H,1H3
InChkey
CVTMJOHFLLGAIA-UHFFFAOYSA-N
Canonical Smiles
B(C1=CN(N=C1C(F)(F)F)C)(O)O
Computational chemical data
  • Molecular Weight:193.92g/mol
  • Molecular Formula:C11H13CLN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:194.047
  • Monoisotopic Mass:194.047
  • Complexity:189
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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