Cas no 61854-60-2 (Quinoline, 6-chloro-2-methyl-8-nitro-)

Quinoline, 6-chloro-2-methyl-8-nitro- structure
61854-60-2 structure
Product Name:Quinoline, 6-chloro-2-methyl-8-nitro-
CAS No:61854-60-2
MF:C10H7ClN2O2
MW:222.627781152725
CID:464593
PubChem ID:10977060
Update Time:2025-04-19

Quinoline, 6-chloro-2-methyl-8-nitro- Chemical and Physical Properties

Names and Identifiers

    • Quinoline, 6-chloro-2-methyl-8-nitro-
    • 6-chloro-2-methyl-8-nitroquinoline
    • DTXSID90450494
    • 61854-60-2
    • SCHEMBL10698487
    • Inchi: 1S/C10H7ClN2O2/c1-6-2-3-7-4-8(11)5-9(13(14)15)10(7)12-6/h2-5H,1H3
    • InChI Key: YZQDFZQKPPIIMZ-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C2C(C=1)=CC=C(C)N=2)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 222.01971
  • Monoisotopic Mass: 222.0196052g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 256
  • 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: 2.6
  • Topological Polar Surface Area: 58.7?2

Experimental Properties

  • PSA: 56.03
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