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2-Nitro-4-chlorodiphenyl Ether

CAT: 0572-TRC-N495800-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N495800-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91-39-4
Synonyms
4-Chloro-2-nitro-1-phenoxybenzene; 4-Chloro-2-nitrophenyl Phenyl Ether; 4-Chloro-2-nitro-1-phenoxybenzene; 4-Chloro-2-nitrodiphenyl Ether; 4-Chloro-2-nitrophenyl Phenyl Ether
Hazard Statement
No Data Available
Smiles
[O-][N+](=O)c1cc(Cl)ccc1Oc2ccccc2
Molecular Formula
C12H8ClNO3
Molecular Weight
249.65
Shipping Conditions
Room Temperature

Chemical Information

4-Chloro-2-nitro-1-phenoxybenzene
CAS Number91-39-4
PubChem CID891181
IUPAC Name4-chloro-2-nitro-1-phenoxybenzene
Molecular FormulaC12H8ClNO3
Molecular Weight249.65
XLogP3.8
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity263
SMILES
C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H8ClNO3/c13-9-6-7-12(11(8-9)14(15)16)17-10-4-2-1-3-5-10/h1-8H
InChIKey
OJESLZHZRVDKCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-2-nitro-1-phenoxybenzene
CAS: 91-39-4
CID: 891181
Formula: C12H8ClNO3
MW: 249.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.65
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass249.0192708
Monoisotopic Mass249.0192708
Topological Polar Surface Area55.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity263
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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