4-Iodobiphenyl

CAT: 0127-OR13030-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR13030-01Size:25 g

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CAS Number

1591-31-7

MDL Number

MFCD00019028

Purity

98%

Smiles

Ic1ccc(cc1)c2ccccc2

Storage Conditions

Store at 2-8°C

Chemical Information

4-Iodobiphenyl

RN given refers to parent cpd

CAS Number	1591-31-7
PubChem CID	15322
IUPAC Name	1-iodo-4-phenylbenzene
Molecular Formula	C12H9I
Molecular Weight	280.10
XLogP	4.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	141

SMILES

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

InChI

InChI=1S/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

InChIKey

NXYICUMSYKIABQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1591-31-7

CID: 15322

Formula: C12H9I

MW: 280.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.10
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	279.97490
Monoisotopic Mass	279.97490
Topological Polar Surface Area	0 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	141
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

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Catalog	Name
FI10763-01	4-Iodobiphenyl
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sc-232755	4-Hydroxy-3-iodobiphenyl
532245	3-Iodobiphenyl
sc-487412	4-tert-Butyl-4'-iodobiphenyl
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433996-01	4'-Iodobiphenyl-3-carboxylic acid
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