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5,7-Dinitro-8-quinolinol

CAT: 0572-TRC-D480280-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D480280-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1084-32-8
Synonyms
5,7-Bis(hydroxyl[oxido]amino)-8-hydroxyquinoline; 5,7-Dinitro-8-hydroxyquinoline; 5,7-Dinitrooxine; 8-Hydroxy-5,7-dinitroquinoline; NSC 57103; NSC 74940
Hazard Statement
Harmful if swallowed.
Smiles
OC1=C2C(C=CC=N2)=C([N+]([O-])=O)C=C1[N+]([O-])=O
Molecular Formula
C9H5N3O5
Molecular Weight
235.15
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5,7-Dinitro-8-quinolinol
CAS Number1084-32-8
PubChem CID245295
IUPAC Name5,7-dinitroquinolin-8-ol
Molecular FormulaC9H5N3O5
Molecular Weight235.15
XLogP2
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity326
SMILES
C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O)N=C1
InChI
InChI=1S/C9H5N3O5/c13-9-7(12(16)17)4-6(11(14)15)5-2-1-3-10-8(5)9/h1-4,13H
InChIKey
YPEUTQKEMPFPKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dinitro-8-quinolinol
CAS: 1084-32-8
CID: 245295
Formula: C9H5N3O5
MW: 235.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.15
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass235.02292027
Monoisotopic Mass235.02292027
Topological Polar Surface Area125 Ų
Heavy Atom Count17
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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