3,4-Diethoxy-5-iodobenzaldehyde

CAT: 0926-TSA29133-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-TSA29133-01Size:250 mg

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CAS Number

443291-33-6

MDL Number

MFCD01169248

Smiles

CCOC1=C (C (=CC (=C1) C=O) I) OCC

Molecular Formula

C11H13IO3

Molecular Weight

320.12 g/mol

Controlled

Chemical Information

3,4-Diethoxy-5-iodobenzaldehyde

CAS Number	443291-33-6
PubChem CID	882384
IUPAC Name	3,4-diethoxy-5-iodobenzaldehyde
Molecular Formula	C11H13IO3
Molecular Weight	320.12
XLogP	2.7
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	198

SMILES

CCOC1=C(C(=CC(=C1)C=O)I)OCC

InChI

InChI=1S/C11H13IO3/c1-3-14-10-6-8(7-13)5-9(12)11(10)15-4-2/h5-7H,3-4H2,1-2H3

InChIKey

HRQDCZHAXXAXKX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 443291-33-6

CID: 882384

Formula: C11H13IO3

MW: 320.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.12
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	319.99094
Monoisotopic Mass	319.99094
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	198
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
DSA47145-01	4- (Allyloxy) -3-ethoxy-5-iodobenzaldehyde
BSA23113-01	4- (Benzyloxy) -3-ethoxy-5-iodobenzaldehyde
GEC11337-01	3-Bromo-4-fluoro-5-iodobenzaldehyde
NHA81309	3-Bromo-5-iodobenzaldehyde
FH55207-01	3-Hydroxy-4-iodobenzaldehyde
BLA86690	4-Chloro-3-iodobenzaldehyde
FI52515-01	4-Iodobenzaldehyde
PLB63693	3-Fluoro-5-iodobenzaldehyde
YJB38782-01	3-Bromo-4-iodobenzaldehyde
XTB62630-01	2,4-Difluoro-5-iodobenzaldehyde

Catalog	Name
PC101295-01	3,5-Difluoro-4-iodobenzaldehyde
OR1098840	3,5-Dimethyl-4-iodobenzaldehyde
OR1098980	3,5-Dichloro-4-iodobenzaldehyde
OR24822-01	4,5-Dimethoxy-3-iodobenzaldehyde
PC1016114	3-Chloro-5-fluoro-4-iodobenzaldehyde
PC1017220-01	3-fluoro-4-hydroxy-5-iodobenzaldehyde
PC1016379-01	3-Chloro-4-fluoro-5-iodobenzaldehyde
OR1038877-01	3-Ethoxy-4-hydroxy-5-iodobenzaldehyde
PC51677-01	3-Bromo-4-fluoro-5-iodobenzaldehyde
PC501217	4- (Bromomethyl) -3-fluoro-5-iodobenzaldehyde