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4- (4-Nitrophenyl) pyridine

CAT: 0127-OR1065678-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1065678-01Size:100 mg
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CAS Number
4282-45-5
MDL Number
MFCD00450018
Purity
96%
Smiles
O=[N+](C1=CC=C(C2=CC=NC=C2)C=C1)[O-]

Chemical Information

4-(4-Nitrophenyl)pyridine
CAS Number4282-45-5
PubChem CID259219
IUPAC Name4-(4-nitrophenyl)pyridine
Molecular FormulaC11H8N2O2
Molecular Weight200.19
XLogP2.4
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity213
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O2/c14-13(15)11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-8H
InChIKey
XBXSGMVYJPSYLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Nitrophenyl)pyridine
CAS: 4282-45-5
CID: 259219
Formula: C11H8N2O2
MW: 200.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight200.19
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass200.058577502
Monoisotopic Mass200.058577502
Topological Polar Surface Area58.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity213
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