4-Iodo-2-methylanisole

CAT: 0024-sc-311036Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-311036Size:5 g

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CAS Number

75581-11-2

Chemical Information

4-Iodo-1-methoxy-2-methylbenzene

CAS Number	75581-11-2
PubChem CID	3854867
IUPAC Name	4-iodo-1-methoxy-2-methylbenzene
Molecular Formula	C8H9IO
Molecular Weight	248.06
XLogP	2.9
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

CC1=C(C=CC(=C1)I)OC

InChI

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

InChIKey

FKBRRGQXYZMUNC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 75581-11-2

CID: 3854867

Formula: C8H9IO

MW: 248.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.06
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	247.96981
Monoisotopic Mass	247.96981
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
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-232874	4-Methylanisole
sc-232548	4-Chloro-2-methylanisole
sc-274834	2-Fluoro-4-methylanisole
sc-225206	2-Bromo-4-methylanisole
sc-226523	4-Bromo-2-methylanisole
sc-230541	2-Methylanisole
sc-298580A	2,3-Difluoro-4-methylanisole
sc-298580	2,3-Difluoro-4-methylanisole
sc-280308	2,6-Bis (thiocyanatomethyl) -4-methylanisole
sc-280308A	2,6-Bis (thiocyanatomethyl) -4-methylanisole