2-Iodobiphenyl

CAT: 0127-OR70057-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR70057-01Size:5 g

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CAS Number

2113-51-1

MDL Number

MFCD00039396

Purity

95%

Smiles

Ic1ccccc1c2ccccc2

Chemical Information

1,1'-Biphenyl, 2-iodo-

CAS Number	2113-51-1
PubChem CID	75025
IUPAC Name	1-iodo-2-phenylbenzene
Molecular Formula	C12H9I
Molecular Weight	280.10
XLogP	4.2
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	149

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2I

InChI

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

InChIKey

QFUYDAGNUJWBSM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2113-51-1

CID: 75025

Formula: C12H9I

MW: 280.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.10
XLogP3	4.2
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	149
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
OR13030-01	4-Iodobiphenyl
OR11356-01	4-Chloro-4'-iodobiphenyl
OR1046256-01	4-Ethyl-4'-iodobiphenyl
OR89821-01	4-Butyl-4'-iodobiphenyl
OR912760-01	4-Hydroxy-4'-iodobiphenyl
OR79917-01	4-Pentyl-4'-iodobiphenyl
OR11357	3,5-Dichloro-4'-iodobiphenyl
OR1077615	4-tert-Butyl-4'-iodobiphenyl
OR1078163	N- (4'-Iodobiphenyl-4-yl) -N- (m-tolyl) aniline
OR1009695-01	2- (2-Iodophenyl) Acetonitrile

Catalog	Name
2113-51-5-01	2-Iodobiphenyl
532245	3-Iodobiphenyl
1591-31-7-01	4-iodobiphenyl
I02730-01	2-Iodobiphenyl Tech. Grade
421171-01	2'-Iodobiphenyl-3-carboxylic acid
sc-485745	4-Bromo-4'-iodobiphenyl
sc-232755	4-Hydroxy-3-iodobiphenyl
sc-267546	4-Hydroxy-4'-iodobiphenyl
TRC-H999913-750MG	4-Hydroxy-4’-iodobiphenyl
sc-487412	4-tert-Butyl-4'-iodobiphenyl