4-Iodo-2,6-dimethoxybenzaldehyde

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CAS Number

1803856-42-9

MDL Number

MFCD28793249

Smiles

C1c (cc (c (c1OC) C=O) OC) I

Chemical Information

4-Iodo-2,6-dimethoxybenzaldehyde

CAS Number	1803856-42-9
PubChem CID	119023986
IUPAC Name	4-iodo-2,6-dimethoxybenzaldehyde
Molecular Formula	C9H9IO3
Molecular Weight	292.07
XLogP	2
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	160

SMILES

COC1=CC(=CC(=C1C=O)OC)I

InChI

InChI=1S/C9H9IO3/c1-12-8-3-6(10)4-9(13-2)7(8)5-11/h3-5H,1-2H3

InChIKey

DAGJLZQOGVHOKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1803856-42-9

CID: 119023986

Formula: C9H9IO3

MW: 292.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	292.07
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	291.95964
Monoisotopic Mass	291.95964
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	160
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
OR1081105	3-Iodo-2,6-dimethoxybenzaldehyde
OR1095632	5-iodo-2,4-dimethoxybenzaldehyde
OR1064147-01	2-Iodo-4,5-dimethoxybenzaldehyde
OR82039-01	2-Iodo-3,4-dimethoxybenzaldehyde
OR91864-01	4-Iodo-2,5-dimethoxybenzaldehyde
PC1017414-01	2-Fluoro-3-iodo-5,6-dimethoxybenzaldehyde
OR1093716	5-Iodo-2,3-dimethoxybenzaldehyde
OR1088455-01	4-Acetyl-2,6-dimethoxybenzaldehyde
OR1068119-01	2-Chloro-4,6-dimethoxybenzaldehyde
OR1096981	4-Chloro-2,6-dimethoxybenzaldehyde

Catalog	Name
280371-01	2-Iodo-4,5-dimethoxybenzaldehyde
sc-231762	3-Iodo-4,5-dimethoxybenzaldehyde
FI66355-01	5-Iodo-2,3-dimethoxybenzaldehyde
HDA47761	2-Chloro-4,6-dimethoxybenzaldehyde
414003-01	2- (Benzoyloxy) -4,6-dimethoxybenzaldehyde
GDA57469	2-Bromo-4,6-dimethoxybenzaldehyde
EEC05038-01	4-Bromo-2,6-dimethoxybenzaldehyde
B208360	2-(Benzoyloxy)-4,6-dimethoxybenzaldehyde
abx183600-01	4-Hydroxy-2,6-dimethoxybenzaldehyde
HY-W001249-01	2,6-Dimethoxybenzaldehyde