Cas no 525-47-3 (2-Quinolinecarboxylicacid, 5-nitro-)

2-Quinolinecarboxylicacid, 5-nitro- structure
525-47-3 structure
Product Name:2-Quinolinecarboxylicacid, 5-nitro-
CAS No:525-47-3
MF:C10H6N2O4
MW:218.165642261505
CID:369285
PubChem ID:10677
Update Time:2025-04-19

2-Quinolinecarboxylicacid, 5-nitro- Chemical and Physical Properties

Names and Identifiers

    • 2-Quinolinecarboxylicacid, 5-nitro-
    • 5-nitroquinoline-2-carboxylic acid
    • 5-Nitro-2-quinolinecarboxylic acid
    • 5-NITROQUINALDIC ACID
    • 5-Nitroquinaldinic acid
    • BRN 0188433
    • EINECS 208-372-8
    • NSC 5339
    • Quinaldic acid, 5-nitro-
    • NSC5339
    • DTXSID40200502
    • AKOS A0602-0498
    • CS-0360846
    • AKOS000320054
    • SCHEMBL297995
    • NITROQUINALDIC ACID, 5-
    • NS00032524
    • UNII-3D55B5O273
    • Q27257055
    • NSC-5339
    • 5-Nitroquinoline-2-carboxylicacid
    • 2-CARBOXY-5-NITROQUINOLINE
    • 5-NITROQUINALDIC ACID [MI]
    • 9X-0857
    • 0-22-00-00073 (Beilstein Handbook Reference)
    • 3D55B5O273
    • 2-Quinolinecarboxylic acid, 5-nitro-
    • 525-47-3
    • SR-01000309518
    • SB70698
    • SR-01000309518-1
    • Inchi: 1S/C10H6N2O4/c13-10(14)8-5-4-6-7(11-8)2-1-3-9(6)12(15)16/h1-5H,(H,13,14)
    • InChI Key: PHELEJSJZGCLEJ-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=CC2C1=CC=C(C(=O)O)N=2)=O

Computed Properties

  • Exact Mass: 218.03278
  • Monoisotopic Mass: 218.03275668g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 302
  • 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: 1.7
  • Topological Polar Surface Area: 96?2

Experimental Properties

  • PSA: 93.33
  • LogP: 2.36440

2-Quinolinecarboxylicacid, 5-nitro- Pricemore >>

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