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Basic Information
CAS No.: 613-51-4
Name: 7-NITRO-QUINOLINE
Article Data: 9
Molecular Structure:
Molecular Structure of 613-51-4 (7-NITRO-QUINOLINE)
Formula: C9H6 N2 O2
Molecular Weight: 174.159
Synonyms: 7-(Hydroxyl[oxido]amino)quinoline;7-Nitroquinoline; NSC 137449
Density: 1.354g/cm3
Melting Point: 132.5°C
Boiling Point: 335.4°C at 760 mmHg
Flash Point: 156.7°C
PSA: 58.71000
LogP: 2.66620
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Chemistry

Molecule structure of 7-Nitroquinoline (CAS NO.613-51-4):

IUPAC Name: 7-Nitroquinoline 
Molecular Weight 174.15614 [g/mol]
Molecular Formula C9H6N2O2 
Index of Refraction: 1.682
Molar Refractivity: 48.73 cm3
Molar Volume: 128.6 cm3
Polarizability: 19.31×10-24 cm3
Surface Tension: 61.8 dyne/cm
Density: 1.354 g/cm3
Flash Point: 156.7 °C
Enthalpy of Vaporization: 55.56 kJ/mol
Boiling Point: 335.4 °C at 760 mmHg
Vapour Pressure: 0.000233 mmHg at 25 °C
XLogP3: 1.8
H-Bond Acceptor: 3
Exact Mass: 174.042927
MonoIsotopic Mass: 174.042927
Topological Polar Surface Area: 58.7
Heavy Atom Count: 13
Complexity: 202
Canonical SMILES: C1=CC2=C(C=C(C=C2)[N+](=O)[O-])N=C1
InChI: InChI=1S/C9H6N2O2/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8/h1-6H
InChIKey: MXKZSCXYMSXOAO-UHFFFAOYSA-N
Classification Code of 7-Nitroquinoline (CAS NO.613-51-4): Mutation data

Specification

 7-Nitroquinoline (CAS NO.613-51-4) is also named as -20-07-00327 (Beilstein Handbook Reference) ; BRN 0136189 ; NSC 137449 ; AKOS 212-55 ; Quinoline, 7-nitro- ; 7-(Hydroxyl[oxido]amino)quinoline .