5-Iodo-2,3-dimethoxybenzaldehyde

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CAS Number

7396-66-9

MDL Number

MFCD00016602

Smiles

C1 (cc (cc (c1OC) C=O) I) OC

Chemical Information

5-Iodo-2,3-dimethoxybenzaldehyde

CAS Number	7396-66-9
PubChem CID	885386
IUPAC Name	5-iodo-2,3-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	174

SMILES

COC1=CC(=CC(=C1OC)C=O)I

InChI

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

InChIKey

UURAEBUTDJEOBA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7396-66-9

CID: 885386

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	174
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
OR1095632	5-iodo-2,4-dimethoxybenzaldehyde
OR1064147-01	2-Iodo-4,5-dimethoxybenzaldehyde
OR91864-01	4-Iodo-2,5-dimethoxybenzaldehyde
OR1081105	3-Iodo-2,6-dimethoxybenzaldehyde
OR82039-01	2-Iodo-3,4-dimethoxybenzaldehyde
PC1017414-01	2-Fluoro-3-iodo-5,6-dimethoxybenzaldehyde
OR1085784	4-Iodo-2,6-dimethoxybenzaldehyde
OR1093457	3-Bromo-2,5-dimethoxybenzaldehyde
PC1009026-01	2-Fluoro-3,5-dimethoxybenzaldehyde
OR4981-01	3,5-Dimethoxybenzaldehyde

Catalog	Name
FI66355-01	5-Iodo-2,3-dimethoxybenzaldehyde
sc-231762	3-Iodo-4,5-dimethoxybenzaldehyde
280371-01	2-Iodo-4,5-dimethoxybenzaldehyde
FD50738-01	3,5-Dimethoxybenzaldehyde
TN9217-01	2,5-Dimethoxybenzaldehyde
sc-233282	5-Bromo-2,3-dimethoxybenzaldehyde
sc-254815	5-Chloro-2,3-dimethoxybenzaldehyde
TCA21665-01	3-bromo-2,5-dimethoxybenzaldehyde