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Home> Hot Product Listed 9   > 9H-Pyrano[3,2-b]benzofuran-9-one,6-b-D-glucopyranosyl-2,3,4,4a,6,9b-hexahydro-3,4,6,7-tetrahydroxy-2...
133307-08-1 structure

9H-Pyrano[3,2-b]benzofuran-9-one,6-b-D-glucopyranosyl-2,3,4,4a,6,9b-hexahydro-3,4,6,7-tetrahydroxy-2-(hydroxymethyl)-8-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-

Iupac Name:1,3-dichloro-2-fluoro-5-iodobenzene
CAS No.:133307-08-1
Molecular Weight:290.885
Molecular Formula:C26H36CL2N2O4 (isomer)
Names and Identifiers
Synonyms

6-beta-D-Glucopyranosyl-2,3,4,4a,6,9b-hexahydro-3,4,6,7-tetrahydroxy-2-(hydroxymethyl)-8-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-9H-pyrano[3,2-b]benzofuran-9-one 9H-Pyrano[3,2-b]benzofuran-9-one,6-b-D-glucopyranosyl-2,3,4,4a,6,9b-hexahydro-3,4,6,7-tetrahydroxy-2-(hydroxymethyl)-8-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-(9CI) SABINENE HYDRATE(SG) safflor yellow (A) Safflor yellow A SAFFLOR YELLOW A (RG) Safflor yellow A, 98%, from Carthamus tinctorius L. Safor yellow A

Inchi
InChI=1S/C6H2Cl2FI/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChkey
UCQPKKMSAOKIEA-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C(=C1Cl)F)Cl)I
Properties
Density
0.866
Boiling Point
480.6°C at 760 mmHg
Flash Point
252.4°C
Computational chemical data
  • Molecular Weight:290.885g/mol
  • Molecular Formula:C26H36CL2N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:289.856
  • Monoisotopic Mass:289.856
  • Complexity:110
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:10
  • 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: AAADcQBgAQAGAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQIgAAAACAKCECgwAIAAAACA ACBCAAACAAAgBQAAiAAAAogIICKBExCAIAAggAAIiAcAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAAA AA==
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