2-Iodobenzaldehyde

CAT: 0926-FI13825-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FI13825-02Size:100 g

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CAS Number

26260-02-6

MDL Number

MFCD00039570

Smiles

C1=CC=C (C (=C1) C=O) I

Molecular Formula

IC6H4CHO

Molecular Weight

232.02 g/mol

Controlled

Chemical Information

2-Iodobenzaldehyde

CAS Number	26260-02-6
PubChem CID	643439
IUPAC Name	2-iodobenzaldehyde
Molecular Formula	C7H5IO
Molecular Weight	232.02
XLogP	2.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	103

SMILES

C1=CC=C(C(=C1)C=O)I

InChI

InChI=1S/C7H5IO/c8-7-4-2-1-3-6(7)5-9/h1-5H

InChIKey

WWKKTHALZAYYAI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26260-02-6

CID: 643439

Formula: C7H5IO

MW: 232.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.02
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	231.93851
Monoisotopic Mass	231.93851
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103
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
KAC81079-01	2-Chloro-4-iodobenzaldehyde
GKA92554-01	2-Chloro-5-iodobenzaldehyde
FI52515-01	4-Iodobenzaldehyde
FI70244-01	3-Iodobenzaldehyde
KWB57318-01	2,6-difluoro-3-iodobenzaldehyde
KWB57310	2,6-Difluoro-4-iodobenzaldehyde
XTB62630-01	2,4-Difluoro-5-iodobenzaldehyde
HIB67420-01	2- (Benzyloxy) -5-bromo-3-iodobenzaldehyde
BDC71457-01	3-Bromo-2-fluoro-4-iodobenzaldehyde
DXC58849-01	4-Bromo-2-fluoro-5-iodobenzaldehyde