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5-Nitro-1H-quinolin-2-one

CAT: 0572-TRC-N496405-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N496405-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6938-27-8
Synonyms
5-Nitrocarbostyril; 5-Nitroquinolin-2(1H)-one; NSC 53940; 5-(Hydroxyl[oxido]amino)-2-hydroxyquinoline;
Hazard Statement
No Data Available
Smiles
[O-][N+](=O)c1cccc2NC(=O)C=Cc12
Molecular Formula
C9H6N2O3
Molecular Weight
190.16
Shipping Conditions
Room Temperature

Chemical Information

5-Nitro-1,2-dihydroquinolin-2-one
CAS Number6938-27-8
PubChem CID243776
IUPAC Name5-nitro-1H-quinolin-2-one
Molecular FormulaC9H6N2O3
Molecular Weight190.16
XLogP1.2
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity295
SMILES
C1=CC2=C(C=CC(=O)N2)C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O3/c12-9-5-4-6-7(10-9)2-1-3-8(6)11(13)14/h1-5H,(H,10,12)
InChIKey
NRZABPOFVNBWMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Nitro-1,2-dihydroquinolin-2-one
CAS: 6938-27-8
CID: 243776
Formula: C9H6N2O3
MW: 190.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.16
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass190.03784206
Monoisotopic Mass190.03784206
Topological Polar Surface Area74.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity295
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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