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Home> Hot Product Listed T   > T6728440
4511-19-7 structure

T6728440

Iupac Name:(2,4,6-trichlorophenyl) carbonochloridate
CAS No.:4511-19-7
Molecular Weight:259.891
Molecular Formula:C16H16BRCLO2 (isomer)
Names and Identifiers
Synonyms

3-(1,4-dioxo-1,2,3,4,4a,5,8,8a-octahydrophthalazin-2-yl)-n-(2-propoxyphenyl)benzamide MCULE-6594473154 MOLPORT-009-108-289 Z899244448

Inchi
InChI=1S/C7H2Cl4O2/c8-3-1-4(9)6(5(10)2-3)13-7(11)12/h1-2H
InChkey
KUZDOAWPCGDGRN-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C(=C1Cl)OC(=O)Cl)Cl)Cl
Properties
Refractive Index
1.579
Safety and Handling
Safety Statements
Low toxicity by inhalation. A corrosive liquid. When heated to decomposition it emits toxic vapors of Cl−.
Computational chemical data
  • Molecular Weight:259.891g/mol
  • Molecular Formula:C16H16BRCLO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.9
  • Exact Mass:259.878
  • Monoisotopic Mass:257.881
  • Complexity:187
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • 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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