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Home> Hot Product Listed M   > MOLPORT-007-746-121
771573-12-7 structure

MOLPORT-007-746-121

Iupac Name:3-(2-aminoethyl)-4-fluoroaniline
CAS No.:771573-12-7
Molecular Weight:154.188
Molecular Formula:C15H8CL2O3 (isomer)
Names and Identifiers
Synonyms

7-(azepan-1-yl)-1-butyl-6-fluoro-3-((4-methoxyphenyl)sulfonyl)quinolin-4(1h)-one 7-azepan-1-yl-1-butyl-6-fluoro-3-[(4-methoxyphenyl)sulfonyl]quinolin-4(1h)-one AKOS001924925 F3411-0274 ZINC9435315

Inchi
InChI=1S/C8H11FN2/c9-8-2-1-7(11)5-6(8)3-4-10/h1-2,5H,3-4,10-11H2
InChkey
SNSFZRPHMBBWEW-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1N)CCN)F
Computational chemical data
  • Molecular Weight:154.188g/mol
  • Molecular Formula:C15H8CL2O3
  • Compound Is Canonicalized:True
  • Exact Mass:154.091
  • Monoisotopic Mass:154.091
  • Complexity:119
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:52A^2
  • Heavy Atom Count:11
  • 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: AAADccBzAQAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQAQAAAADAjBGAwwwIBAAACA AiRCQACCAAAgAgAIiIAAZIgIICKAkZGAIABgkAAIyAcQgIAOAAAAQAAAAAAAAACAAAAAAAAAAAAA AA==
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