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5-Nitrobenzofuran (Standard)

CAT: 0804-HY-Z0576RSize: 1 EachDry Ice: NoHazardous: No
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Description
5-Nitrobenzofuran (Standard) is the analytical standard of 5-Nitrobenzofuran. This product is intended for research and analytical applications.
CAS Number
18761-31-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Reference Standards
Related Pathways
Others
Smiles
O=[N+]([O-])C1=CC=C2OC=CC2=C1
Molecular Formula
C8H5NO3
Molecular Weight
163.13
Precautions
H302, H315, H319, H335
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

5-Nitro-1-benzofuran
CAS Number18761-31-4
PubChem CID595897
IUPAC Name5-nitro-1-benzofuran
Molecular FormulaC8H5NO3
Molecular Weight163.13
XLogP2.2
Topological Polar Surface Area59
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity189
SMILES
C1=CC2=C(C=CO2)C=C1[N+](=O)[O-]
InChI
InChI=1S/C8H5NO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChIKey
LPMMCJSIUVQZFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Nitro-1-benzofuran
CAS: 18761-31-4
CID: 595897
Formula: C8H5NO3
MW: 163.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.13
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass163.026943022
Monoisotopic Mass163.026943022
Topological Polar Surface Area59 Ų
Heavy Atom Count12
Formal Charge0
Complexity189
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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