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4-Nitrobenzene-1,3-diol

CAT: 0013-GTR19254982-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254982-01Size:50 mg
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Description
4-Nitrobenzene-1,3-diol is a high purity biochemical reagent that can be used in research related to life sciences.
CAS Number
3163-07-3
Product Name Alternative
4-Nitroresorcinol
Purity
95.92% (May vary between batches)
Smiles
OC (C=C1O) =CC=C1[N+] ([O-]) =O
Molecular Formula
C6H5NO4
Molecular Weight
155.11
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

4-Nitroresorcinol

2,4-Dihydroxy-nitrophenol is a nitrophenol.

CAS Number3163-07-3
PubChem CID76623
IUPAC Name4-nitrobenzene-1,3-diol
Molecular FormulaC6H5NO4
Molecular Weight155.11
XLogP1.5
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
C1=CC(=C(C=C1O)O)[N+](=O)[O-]
InChI
InChI=1S/C6H5NO4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H
InChIKey
CYEZXDVLBGFROE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitroresorcinol
CAS: 3163-07-3
CID: 76623
Formula: C6H5NO4
MW: 155.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.11
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass155.02185764
Monoisotopic Mass155.02185764
Topological Polar Surface Area86.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
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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