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2,6-Dimethyl-4-nitrophenol

CAT: 0572-TRC-D460155-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D460155-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2423-71-4
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cc1cc(cc(C)c1O)[N+](=O)[O-]
Molecular Formula
C8 H9 N O3
Molecular Weight
167.162
InChI
InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3
Additionnal Information
IUPAC name: 2,6-dimethyl-4-nitro-phenol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,6-Xylenol, 4-nitro-
CAS Number2423-71-4
PubChem CID17030
IUPAC Name2,6-dimethyl-4-nitrophenol
Molecular FormulaC8H9NO3
Molecular Weight167.16
XLogP1.2
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity166
SMILES
CC1=CC(=CC(=C1O)C)[N+](=O)[O-]
InChI
InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey
FNORUNUDZNWQFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Xylenol, 4-nitro-
CAS: 2423-71-4
CID: 17030
Formula: C8H9NO3
MW: 167.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.16
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass167.058243149
Monoisotopic Mass167.058243149
Topological Polar Surface Area66.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity166
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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Alternative Products

CatalogName
CAA423712,6-Dimethyl-4-nitrophenol
sc-2660932,4-Dimethyl-6-nitrophenol
OR15362-Chloro-4,5-dimethyl-6-nitrophenol
sc-3435362,6-dimethyl-3-nitrophenol
GTR19258060-013,6-Dimethyl-2-nitrophenol
sc-3435042,5-dimethyl-4-nitrophenol
sc-4815402,3-Dimethyl-4-nitrophenol
OR92574-012,4-Dimethyl-3-nitrophenol
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