Iodobenzene 98% For Synthesis

CAT: 1507-146300500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:1507-146300500Size:500 mg

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CAS Number

591-50-4

HSN Code

29031990

Chemical Information

Iodobenzene

RN given refers to unlabeled parent cpd

CAS Number	591-50-4
PubChem CID	11575
IUPAC Name	iodobenzene
Molecular Formula	C6H5I
Molecular Weight	204.01
XLogP	3.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	46

SMILES

C1=CC=C(C=C1)I

InChI

InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H

InChIKey

SNHMUERNLJLMHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 591-50-4

CID: 11575

Formula: C6H5I

MW: 204.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.01
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	203.94360
Monoisotopic Mass	203.94360
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	46.1
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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