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Furan, 2-(methylsulfinyl)- structure
Furan, 2-(methylsulfinyl)- structure

Furan, 2-(methylsulfinyl)-

Iupac Name:4-(2-chloropyridin-3-yl)morpholine
CAS No.:54231-44-6
Molecular Weight:198.65g/mol
1. Names and Identifiers
1.1 Name
Furan, 2-(methylsulfinyl)-
1.2 CAS No.
54231-44-6
1.3 CID
52940322
1.4 Molecular Formula
C2H3CLHGO2 (isomer)
1.5 Inchi
InChI=1S/C9H11ClN2O/c10-9-8(2-1-3-11-9)12-4-6-13-7-5-12/h1-3H,4-7H2
1.6 InChkey
XCAZVILXVGXDMJ-UHFFFAOYSA-N
1.7 Canonical Smiles
C1COCCN1C2=C(N=CC=C2)Cl
1.8 Isomers Smiles
C1COCCN1C2=C(N=CC=C2)Cl
2. 3D Conformer
3. Computational chemical data
  • Molecular Weight:198.65g/molg/mol
  • Molecular Formula:C2H3CLHGO2
  • Compound Is Canonicalized:True
  • Exact Mass:198.056
  • Monoisotopic Mass:198.056
  • Complexity:162
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:25.4A^2
  • Heavy Atom Count:13
  • 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: AAADccBzIAAEAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHgIAAAAACArhkiY8wJMIFACg ADRnRACCgCAxFiAI2CA4dpgKYOLBk5HXIAhggADYyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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