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Home> Hot Product Listed P   > Phosphorobromidous acid(8CI,9CI)
1220973-37-4 structure

Phosphorobromidous acid(8CI,9CI)

Iupac Name:2-amino-2-[5-[5-(3-chloro-4-propoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-benzofuran-2-yl]propane-1,3-diol
CAS No.:1220973-37-4
Molecular Weight:443.884
Molecular Formula:C2H13N2O4P (isomer)
Names and Identifiers
Synonyms

Phosphorousacid bromide

Inchi
InChI=1S/C22H22ClN3O5/c1-2-7-29-18-6-4-14(9-16(18)23)21-25-20(26-31-21)13-3-5-17-15(8-13)10-19(30-17)22(24,11-27)12-28/h3-6,8-10,27-28H,2,7,11-12,24H2,1H3
InChkey
YHNUTRJSCOJJKX-UHFFFAOYSA-N
Canonical Smiles
CCCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)OC(=C4)C(CO)(CO)N)Cl
Properties
Density
0.928
Boiling Point
°Cat760mmHg
Computational chemical data
  • Molecular Weight:443.884g/mol
  • Molecular Formula:C2H13N2O4P
  • Compound Is Canonicalized:True
  • Exact Mass:443.125
  • Monoisotopic Mass:443.125
  • Complexity:583
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:128A^2
  • Heavy Atom Count:31
  • 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: AAADceB7OAAEAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAEgB/AAAHgIUCAAADI6hmyIzFsZYFkCp AqNyNgCCiAkkJeApiCGmD9iOPreFvxuHeSjl9ROIqYeY/f/eIAACIAAICABAAARAABAQAAAAAAAA AA==
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