3-nitroquinoline-4-...

3-nitroquinoline-4-carboxylic acid(CAS No. 5466-50-2)

3-nitroquinoline-4-carboxylic acid(CAS No. 5466-50-2)

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3-nitroquinoline-4-carboxylic acid 5466-50-2 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

Name】
3-nitroquinoline-4-carboxylic acid
【CAS Registry number】
5466-50-2
【Synonyms】
3-nitroquinoline-4-carboxylic acid
NSC26138
AC1L5KDY
AC1Q1YAN
AR-1F4691
NSC-26138
【Molecular Formula】
C10H6N2O4 (Products with the same molecular formula)
【Molecular Weight】
218.1656
【Inchi】
InChI=1/C10H6N2O4/c13-10(14)9-6-3-1-2-4-7(6)11-5-8(9)12(15)16/h1-5H,(H,13,14)
【Canonical SMILES】
C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])C(=O)O
【MOL File】
5466-50-2.mol
Chemical and Physical Properties
【Density】
1.545g/cm3
【Boiling Point】
409.1°C at 760 mmHg
【Refractive Index】
1.718
【Flash Point】
201.2°C
【Computed Properties】
Molecular Weight:218.16564 [g/mol]
Molecular Formula:C10H6N2O4
XLogP3-AA:1.5
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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