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Quinoline, 7-nitro-(CAS No. 613-51-4)

Quinoline, 7-nitro- C9H6N2O2 (cas 613-51-4) Molecular Structure

613-51-4 Structure

Identification and Related Records

【Name】
Quinoline, 7-nitro-
【Iupac name】
7-nitroquinoline
【CAS Registry number】
613-51-4
【Synonyms】
7-(Hydroxyl[oxido]amino)quinoline
7-Nitroquinoline
NSC 137449
【Molecular Formula】
C9H6 N2 O2 (Products with the same molecular formula)
【Molecular Weight】
174.16
【Inchi】
InChI=1/C9H6N2O2/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8/h1-6H
【Canonical SMILES】
C1=CC2=C(C=C(C=C2)[N+](=O)[O-])N=C1
【MOL File】
613-51-4.mol

Chemical and Physical Properties

【Density】
1.354g/cm3
【Boiling Point】
335.4°C at 760 mmHg
【Refractive Index】
1.682
【Flash Point】
156.7°C
【Computed Properties】
Molecular Weight:174.15614 [g/mol]
Molecular Formula:C9H6N2O2
XLogP3:1.8
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:174.042927
MonoIsotopic Mass:174.042927
Topological Polar Surface Area:58.7
Heavy Atom Count:13
Formal Charge:0
Complexity:202
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:3
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【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 .

Supplier Location

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Telephone:86-21-34226250

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