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1-(4-Chlorophenoxy)-4-nitrobenzene

CAT: 0572-TRC-B405285-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B405285-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1836-74-4
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Molecular Formula
C12H8NO3Cl
Molecular Weight
249.65
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Chloro-4-(4-nitrophenoxy)benzene
CAS Number1836-74-4
PubChem CID15786
IUPAC Name1-(4-chlorophenoxy)-4-nitrobenzene
Molecular FormulaC12H8ClNO3
Molecular Weight249.65
XLogP4.5
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity253
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H8ClNO3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H
InChIKey
GDEZSMXXDMVYHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-4-(4-nitrophenoxy)benzene
CAS: 1836-74-4
CID: 15786
Formula: C12H8ClNO3
MW: 249.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.65
XLogP34.5
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
Complexity253
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
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sc-3059112- (Chloromethyl) -1- (4-chlorophenoxy) -4-nitrobenzene
OR1099606-014- (2-chlorophenoxy) -2-methyl-1-nitrobenzene
OR1094392-014- (3-chlorophenoxy) -2-methyl-1-nitrobenzene
OR1099446-012-chloro-1- (2-chlorophenoxy) -4-nitrobenzene
OR1092521-012-chloro-1- (3-chlorophenoxy) -4-nitrobenzene
PC102912-012- (4-Chlorophenoxy) -1,3-difluoro-5-nitrobenzene
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