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2-Methoxy-5-nitropyridine

CAT: 0127-OR1261-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1261-01Size:25 g
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CAS Number
5446-92-4
MDL Number
MFCD00006263
Purity
98%
Smiles
COc1ccc(cn1)[N+](=O)[O-]

Chemical Information

2-Methoxy-5-nitropyridine
CAS Number5446-92-4
PubChem CID79525
IUPAC Name2-methoxy-5-nitropyridine
Molecular FormulaC6H6N2O3
Molecular Weight154.12
XLogP1.6
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity145
SMILES
COC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3/c1-11-6-3-2-5(4-7-6)8(9)10/h2-4H,1H3
InChIKey
WUPLOZFIOAEYMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-5-nitropyridine
CAS: 5446-92-4
CID: 79525
Formula: C6H6N2O3
MW: 154.12
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight154.12
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass154.03784206
Monoisotopic Mass154.03784206
Topological Polar Surface Area67.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity145
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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