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2- (4-Nitrophenoxy) Naphthalene

CAT: 0127-OR1025003-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1025003-01Size:250 mg
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CAS Number
71311-82-5
Synonyms
2- (4-nitrophenoxy) naphthalene
Purity
99%
Smiles
C1=CC=C2C=C(C=CC2=C1)OC3=CC=C(C=C3)[N+](=O)[O-]

Chemical Information

2-(4-Nitrophenoxy)naphthalene
CAS Number71311-82-5
PubChem CID762478
IUPAC Name2-(4-nitrophenoxy)naphthalene
Molecular FormulaC16H11NO3
Molecular Weight265.26
XLogP4.8
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity333
SMILES
C1=CC=C2C=C(C=CC2=C1)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H11NO3/c18-17(19)14-6-9-15(10-7-14)20-16-8-5-12-3-1-2-4-13(12)11-16/h1-11H
InChIKey
ORYXOTYJSALBQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Nitrophenoxy)naphthalene
CAS: 71311-82-5
CID: 762478
Formula: C16H11NO3
MW: 265.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight265.26
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass265.07389321
Monoisotopic Mass265.07389321
Topological Polar Surface Area55.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity333
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