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Home> Hot Product Listed 1   > 1-carbethoxymethyl-1-(n-hexyl)urea
1319720-64-3 structure

1-carbethoxymethyl-1-(n-hexyl)urea

Iupac Name:2-bromo-9,9-dimethyl-10-phenylacridine
CAS No.:1319720-64-3
Molecular Weight:364.286
Molecular Formula:C11H20F3N3O3S (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C21H18BrN/c1-21(2)17-10-6-7-11-19(17)23(16-8-4-3-5-9-16)20-13-12-15(22)14-18(20)21/h3-14H,1-2H3
InChkey
YJURGFBTNNIONW-UHFFFAOYSA-N
Canonical Smiles
CC1(C2=CC=CC=C2N(C3=C1C=C(C=C3)Br)C4=CC=CC=C4)C
Computational chemical data
  • Molecular Weight:364.286g/mol
  • Molecular Formula:C11H20F3N3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:363.062
  • Monoisotopic Mass:363.062
  • Complexity:414
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:3.2A^2
  • Heavy Atom Count:23
  • 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: AAADceB6AAAAEAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACxUAAAHABAAAABrgiBGAAywIMAAACA AiRCQACCAAAhAgQIiAAAZKgIIGLAkZGEIAhggADIyhcQgMAPgAAgEAACAAAAAEAgAAQAAAAAAAAA AA==
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