5-Nitroquinoline-2-...

5-Nitroquinoline-2-carboxylic acid 525-47-3

5-Nitroquinoline-2-carboxylic acid 525-47-3

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

Keywords

2-Quinolinecarboxylicacid, 5-nitro- 5-Nitroquinoline-2-carboxylic acid 525-47-3

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
2-Quinolinecarboxylicacid, 5-nitro-
【Iupac name】
5-nitroquinoline-2-carboxylic acid
【CAS Registry number】
525-47-3
【Synonyms】
Quinaldicacid, 5-nitro- (6CI,8CI)
2-Carboxy-5-nitroquinoline
5-Nitroquinaldic acid
5-Nitroquinaldinic acid
5-Nitroquinoline-2-carboxylic acid
NSC 5339
【EINECS(EC#)】
208-372-8
【Molecular Formula】
C10H6 N2 O4 (Products with the same molecular formula)
【Molecular Weight】
218.16564
【Inchi】
InChI=1/C10H6N2O4/c13-10(14)8-5-4-6-7(11-8)2-1-3-9(6)12(15)16/h1-5H,(H,13,14)
【Canonical SMILES】
C1=CC2=C(C=CC(=N2)C(=O)O)C(=C1)[N+](=O)[O-]
【MOL File】
525-47-3.mol
Chemical and Physical Properties
【Density】
1.545g/cm3
【Boiling Point】
431.1°Cat760mmHg
【Refractive Index】
1.718
【Flash Point】
214.5°C
【Computed Properties】
Molecular Weight:218.16564 [g/mol]
Molecular Formula:C10H6N2O4
XLogP3:1.7
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:1
Exact Mass:218.032757
MonoIsotopic Mass:218.032757
Topological Polar Surface Area:96
Heavy Atom Count:16
Formal Charge:0
Complexity:302
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Anion Count:2
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:1

 

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