1-ethoxy-3-iodobenzene

CAT: 0127-OR1097962-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097962-01Size:250 mg

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CAS Number

29052-00-4

MDL Number

MFCD00673013

Purity

97%

Smiles

C1 (cccc (c1) OCC) I

Chemical Information

1-Ethoxy-3-iodobenzene

CAS Number	29052-00-4
PubChem CID	619182
IUPAC Name	1-ethoxy-3-iodobenzene
Molecular Formula	C8H9IO
Molecular Weight	248.06
XLogP	3.2
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	95

SMILES

CCOC1=CC(=CC=C1)I

InChI

InChI=1S/C8H9IO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3

InChIKey

UIGQMEPFSWIPHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29052-00-4

CID: 619182

Formula: C8H9IO

MW: 248.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.06
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	247.96981
Monoisotopic Mass	247.96981
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	95.3
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
EBA05200-01	1-Ethoxy-3-iodobenzene
AAA61473-01	1-Ethoxy-2-iodobenzene
sc-297815A	1-Bromo-3-ethoxy-2-iodobenzene
TVA07017	1- (difluoromethoxy) -3-iodobenzene
CCA27410-01	3-Iodobenzene-1-thiol
TYD-00392-01	1-Bromo-3-iodobenzene
AAA45645-01	1- (Fluoromethyl) -3-iodobenzene
UAA16477	1-Ethyl-3-iodobenzene
409780-01	1-fluoro-3-iodobenzene
625-99-0-01	1-Chloro-3-iodobenzene