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2-Nitrophenol (o-Nitro Phenol)

CAT: 1442-1141060 500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1442-1141060 500Size:500 mg
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CAS Number
88-75-5
Molecular Formula
2- (NO2) C6H4OH
Molecular Weight
139.11
HSN Code
29089990

Chemical Information

2-Nitrophenol

2-nitrophenol is a member of the class of 2-nitrophenols that is phenol in which one of the hydrogens that is ortho to the hydroxy group has been replaced by a nitro group. It is a conjugate acid of a 2-nitrophenolate.

CAS Number88-75-5
PubChem CID6947
IUPAC Name2-nitrophenol
Molecular FormulaC6H5NO3
Molecular Weight139.11
XLogP1.8
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity131
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])O
InChI
InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
InChIKey
IQUPABOKLQSFBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nitrophenol
CAS: 88-75-5
CID: 6947
Formula: C6H5NO3
MW: 139.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.11
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass139.026943022
Monoisotopic Mass139.026943022
Topological Polar Surface Area66.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity131
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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