Cas no 219949-93-6 (2-Quinolinecarboxylicacid, 4-chloro-5,8-difluoro-, methyl ester)

2-Quinolinecarboxylicacid, 4-chloro-5,8-difluoro-, methyl ester structure
219949-93-6 structure
Product Name:2-Quinolinecarboxylicacid, 4-chloro-5,8-difluoro-, methyl ester
CAS No:219949-93-6
MF:C11H6ClF2NO2
MW:257.620648860931
CID:243779
PubChem ID:26985168
Update Time:2025-04-19

2-Quinolinecarboxylicacid, 4-chloro-5,8-difluoro-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Quinolinecarboxylicacid, 4-chloro-5,8-difluoro-, methyl ester
    • methyl 4-chloro-5,8-difluoroquinoline-2-carboxylate
    • Methyl 4-chloro-5,8-difluoro-quinoline-2-carboxylate
    • PC1893
    • AKOS012682752
    • DTXSID50650413
    • MFCD08458037
    • 219949-93-6
    • (2-(Benzyloxy)-2-oxoethyl)(4-phenylbutan-2-yl)phosphinic acid
    • Inchi: 1S/C11H6ClF2NO2/c1-17-11(16)8-4-5(12)9-6(13)2-3-7(14)10(9)15-8/h2-4H,1H3
    • InChI Key: XPAFKCKYJFPOFY-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=O)OC)N=C2C(=CC=C(C2=1)F)F

Computed Properties

  • Exact Mass: 257.00600
  • Monoisotopic Mass: 257.0055125g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 305
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • PSA: 39.19000
  • LogP: 2.95300
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