2-Methoxy-5-iodobenzaldehyde

CAT: 0024-sc-265768Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-265768Size:1 g

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CAS Number

42298-41-9

Chemical Information

5-Iodo-2-methoxybenzaldehyde

CAS Number	42298-41-9
PubChem CID	262240
IUPAC Name	5-iodo-2-methoxybenzaldehyde
Molecular Formula	C8H7IO2
Molecular Weight	262.04
XLogP	2.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

COC1=C(C=C(C=C1)I)C=O

InChI

InChI=1S/C8H7IO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3

InChIKey

PIRKMHAREMCDPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42298-41-9

CID: 262240

Formula: C8H7IO2

MW: 262.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.04
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	261.94908
Monoisotopic Mass	261.94908
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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
sc-225384	2-Fluoro-5-iodobenzaldehyde
sc-483903	5-Fluoro-2-iodobenzaldehyde
sc-230425	2-Iodobenzaldehyde
sc-225399	2-Fluoro-6-iodobenzaldehyde
sc-231765	3-Iodobenzaldehyde
sc-226694	4-Iodobenzaldehyde
sc-274961	2-methoxy-5-methylbenzaldehyde
sc-233388	5-Methoxy-2-methylbenzothiazole
sc-265769	2-Methoxy-5-methylphenol
sc-481168	5-Methoxy-2-nitrophenol