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Home> Hot Product Listed M   > MOLPORT-007-887-165
21591-53-7 structure

MOLPORT-007-887-165

Iupac Name:triethoxy(phenanthren-9-yl)silane
CAS No.:21591-53-7
Molecular Weight:340.494
Molecular Formula:C12H10BRN5O3 (isomer)
Names and Identifiers
Synonyms

2-((2-chlorobenzyl)thio)-3-isobutyl-4-oxo-n-propyl-3,4-dihydroquinazoline-7-carboxamide 2-[(2-chlorobenzyl)thio]-3-isobutyl-4-oxo-n-propyl-3,4-dihydroquinazoline-7-carboxamide AKOS002069266 F3222-3323 MCULE-5936820110 ZINC33076943

Inchi
InChI=1S/C20H24O3Si/c1-4-21-24(22-5-2,23-6-3)20-15-16-11-7-8-12-17(16)18-13-9-10-14-19(18)20/h7-15H,4-6H2,1-3H3
InChkey
WJJDBJYEDVQKGT-UHFFFAOYSA-N
Canonical Smiles
CCO[Si](C1=CC2=CC=CC=C2C3=CC=CC=C31)(OCC)OCC
Computational chemical data
  • Molecular Weight:340.494g/mol
  • Molecular Formula:C12H10BRN5O3
  • Compound Is Canonicalized:True
  • Exact Mass:340.149
  • Monoisotopic Mass:340.149
  • Complexity:372
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:27.7A^2
  • Heavy Atom Count:24
  • 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: AAADceB4MAgAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAGhAAAEAADACguAIyAMAAAACA AiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAA AA==
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