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Home> Hot Product Listed 2   > 2-Propenoic acid, 2-methyl-3-[4-(pentyloxy)phenyl]-, 4-cyanophenylester, (E)-
7783-57-5 structure

2-Propenoic acid, 2-methyl-3-[4-(pentyloxy)phenyl]-, 4-cyanophenylester, (E)-

Iupac Name:trifluorothallane
CAS No.:7783-57-5
Molecular Weight:261.375
Molecular Formula:C25H33NO (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/3FH.Tl/h3*1H;/q;;;+3/p-3
InChkey
BOUDEKXATYHWHY-UHFFFAOYSA-K
Canonical Smiles
F[Tl](F)F
Properties
Melting Point
550 °C (dec.)(lit.)
Safety and Handling
Risk Statements
26/28-33-51/53
Safety Statements
13-28-45-61
HazardClass
6.1(a)
PackingGroup
II
Transport
UN 1707 6.1/PG 2
Reach Info
Computational chemical data
  • Molecular Weight:261.375g/mol
  • Molecular Formula:C25H33NO
  • Compound Is Canonicalized:True
  • Exact Mass:261.97
  • Monoisotopic Mass:261.97
  • Complexity:8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:4
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcQAAAYAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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