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2-Cyclohexyl-4,6-dinitrophenol

CAT: 0572-TRC-C990029-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C990029-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131-89-5
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C2CCCCC2
Molecular Formula
C12 H14 N2 O5
Molecular Weight
266.25
InChI
InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2
Additionnal Information
IUPAC name: 2-cyclohexyl-4,6-dinitrophenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dinex

Dinex is a ring assembly and an alkylbenzene.

CAS Number131-89-5
PubChem CID8540
IUPAC Name2-cyclohexyl-4,6-dinitrophenol
Molecular FormulaC12H14N2O5
Molecular Weight266.25
XLogP4.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity345
SMILES
C1CCC(CC1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2
InChIKey
QJYHUJAGJUHXJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dinex
CAS: 131-89-5
CID: 8540
Formula: C12H14N2O5
MW: 266.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.25
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass266.09027155
Monoisotopic Mass266.09027155
Topological Polar Surface Area112 Ų
Heavy Atom Count19
Formal Charge0
Complexity345
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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