4-Iododiphenyl ether

CAT: 0024-sc-280439Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-280439Size:5 g

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CAS Number

2974-94-9

Chemical Information

4-Iododiphenyl ether

CAS Number	2974-94-9
PubChem CID	520399
IUPAC Name	1-iodo-4-phenoxybenzene
Molecular Formula	C12H9IO
Molecular Weight	296.10
XLogP	4.9
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	158

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)I

InChI

InChI=1S/C12H9IO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H

InChIKey

BDKOUDYNKRCDEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2974-94-9

CID: 520399

Formula: C12H9IO

MW: 296.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.10
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	295.96981
Monoisotopic Mass	295.96981
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	158
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-284229	4-Fluoro-3'-iododiphenyl ether
sc-299538	4-Iodophenyl ether
sc-299538A	4-Iodophenyl ether
sc-313157	3-Iodophenyl 4-piperidinyl ether
sc-226823	4,4'-Dinitrodiphenyl ether
sc-482156	4,4'-Dihydroxydiphenyl ether
sc-284275A	4-Isothiocyanatophenyl ether
sc-232600	4-Chlorodiphenyl ether
sc-232598	4-Chlorobutyl ether
sc-284275	4-Isothiocyanatophenyl ether