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Home> Hot Product Listed 1   > 1-N,4-N-bis[(E)-(2-ethoxyphenyl)methylideneamino]phthalazine-1,4-diamine
444581-46-8 structure

1-N,4-N-bis[(E)-(2-ethoxyphenyl)methylideneamino]phthalazine-1,4-diamine

Iupac Name:1-bromo-2-(1,1-difluoroethyl)benzene
CAS No.:444581-46-8
Molecular Weight:221.045
Molecular Formula:C82H54O54 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C8H7BrF2/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3
InChkey
XZJWDIHNMMLGLA-UHFFFAOYSA-N
Canonical Smiles
CC(C1=CC=CC=C1Br)(F)F
Properties
Density
1.41
Boiling Point
472.2°C at 760 mmHg
Flash Point
383.4°C
Reach Info
Computational chemical data
  • Molecular Weight:221.045g/mol
  • Molecular Formula:C82H54O54
  • Compound Is Canonicalized:True
  • Exact Mass:219.97
  • Monoisotopic Mass:219.97
  • Complexity:136
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:11
  • 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: AAADcYBwAYAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQBAAAABrACAGBAyAIAAAACA AiBCAAACAAAgAAQIiAAAAKgIICKAERCAIAAggAAIihcAgIAOAAAAAAAAgAAAAAAAAAEAAAAAAAAA AA==
 
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