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8-Methoxy-3-nitroquinolin-4-ol

CAT: 0926-RJB47310-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-RJB47310-01Size:50 mg
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CAS Number
866473-10-1
MDL Number
MFCD29048242
Smiles
COC1=CC=CC2=C1NC=C (C2=O) [N+] (=O) [O-]
Molecular Formula
C10H8N2O4
Molecular Weight
220.2 g/mol
Controlled
No

Chemical Information

8-Methoxy-3-nitroquinolin-4-ol
CAS Number866473-10-1
PubChem CID129451219
IUPAC Name8-methoxy-3-nitro-1H-quinolin-4-one
Molecular FormulaC10H8N2O4
Molecular Weight220.18
XLogP1.6
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity347
SMILES
COC1=CC=CC2=C1NC=C(C2=O)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O4/c1-16-8-4-2-3-6-9(8)11-5-7(10(6)13)12(14)15/h2-5H,1H3,(H,11,13)
InChIKey
IIMPRAVNEYOBHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Methoxy-3-nitroquinolin-4-ol
CAS: 866473-10-1
CID: 129451219
Formula: C10H8N2O4
MW: 220.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.18
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass220.04840674
Monoisotopic Mass220.04840674
Topological Polar Surface Area84.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity347
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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