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2-Dodecanol, 1,1,1-trifluoro-, (R)- structure
2-Dodecanol, 1,1,1-trifluoro-, (R)- structure

2-Dodecanol, 1,1,1-trifluoro-, (R)-

Iupac Name:1-ethylimidazo[4,5-c]quinoline
CAS No.:99010-30-7
Molecular Weight:197.24
1. Names and Identifiers
1.1 Name
2-Dodecanol, 1,1,1-trifluoro-, (R)-
1.2 CAS No.
99010-30-7
1.3 CID
13958364
1.4 Molecular Formula
C34H60N10O16 (isomer)
1.5 Inchi
InChI=1S/C12H11N3/c1-2-15-8-14-11-7-13-10-6-4-3-5-9(10)12(11)15/h3-8H,2H2,1H3
1.6 InChkey
ZKHWWGYSQLYDBY-UHFFFAOYSA-N
1.7 Canonical Smiles
CCN1C=NC2=C1C3=CC=CC=C3N=C2
1.8 Isomers Smiles
CCN1C=NC2=C1C3=CC=CC=C3N=C2
2. Computational chemical data
  • Molecular Weight:197.24g/mol
  • Molecular Formula:C34H60N10O16
  • Compound Is Canonicalized:True
  • XLogP3-AA:2
  • Exact Mass:197.095297364
  • Monoisotopic Mass:197.095297364
  • Complexity:231
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:30.7
  • Heavy Atom Count:15
  • 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
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1-ethyl-1H-imidazo[4,5-c]quinoline
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2017/11/23
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