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Home> Hot Product Listed T   > T6826076
37181-39-8 structure

T6826076

Iupac Name:trifluoromethanesulfonate
CAS No.:37181-39-8
Molecular Weight:149.063
Molecular Formula:C24H20N4O4S (isomer)
Names and Identifiers
Synonyms

carbamoylmethyl 1-(3-chlorophenyl)cyclopropane-1-carboxylate MCULE-1723411869 MOLPORT-009-565-222 Z742810180 ZINC56231612

Inchi
InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)/p-1
InChkey
ITMCEJHCFYSIIV-UHFFFAOYSA-M
Canonical Smiles
C(F)(F)(F)S(=O)(=O)[O-]
Isomers Smiles
C(F)(F)(F)S(=O)(=O)[O-]
Computational chemical data
  • Molecular Weight:149.063g/mol
  • Molecular Formula:C24H20N4O4S
  • Compound Is Canonicalized:True
  • Exact Mass:148.952
  • Monoisotopic Mass:148.952
  • Complexity:145
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:8
  • 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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