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Home> Encyclopedia > Hot Product Listed W   > WACMOZTXUUXHAO-UHFFFAOYSA-N
1198416-85-1 structure

WACMOZTXUUXHAO-UHFFFAOYSA-N

Iupac Name:2-(4-fluorophenyl)morpholine;oxalic acid
CAS No.:1198416-85-1
Molecular Weight:271.244
Molecular Formula:C12H14FNO5 (isomer)
Names and Identifiers
Synonyms

2-(4-fluorophenyl) morpholine oxalate 2-(4-fluorophenyl)morpholine oxalic acid 2FMA-Q05-4 AB0086344 AK336114 AKOS026677261 KM5629 MCULE-5537272113 mfcd03840014 MOLPORT-001-778-610 SCHEMBL12521042

Inchi
InChI=1S/C10H12FNO.C2H2O4/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10;3-1(4)2(5)6/h1-4,10,12H,5-7H2;(H,3,4)(H,5,6)
InChkey
WACMOZTXUUXHAO-UHFFFAOYSA-N
Canonical Smiles
C1COC(CN1)C2=CC=C(C=C2)F.C(=O)(C(=O)O)O
Computational chemical data
  • Molecular Weight:271.244g/mol
  • Molecular Formula:C12H14FNO5
  • Compound Is Canonicalized:True
  • Exact Mass:271.086
  • Monoisotopic Mass:271.086
  • Complexity:229
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:95.9A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByOQAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHwAQCAAADBThmA4wCILABgCI AiDSCAICAAAgAAAIiIBICIgLJiKAsRmHMAAk0AGZqAeQwKAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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