4-Iodo-2-methoxyaniline

CAT: 0127-OR43624-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR43624-01Size:5 g

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CAS Number

338454-80-1

Synonyms

2-Amino-5-iodoanisole, 4-Iodo-o-anisidine

MDL Number

MFCD11044438

Purity

98%

Smiles

COc1cc(I)ccc1N

Chemical Information

4-Iodo-2-methoxyaniline

CAS Number	338454-80-1
PubChem CID	46737999
IUPAC Name	4-iodo-2-methoxyaniline
Molecular Formula	C7H8INO
Molecular Weight	249.05
XLogP	2
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

COC1=C(C=CC(=C1)I)N

InChI

InChI=1S/C7H8INO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3

InChIKey

AEPCMLLYVXZOLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 338454-80-1

CID: 46737999

Formula: C7H8INO

MW: 249.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.05
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	248.96506
Monoisotopic Mass	248.96506
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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-299536	4-Iodo-2-methoxyaniline
418401-01	2-Iodo-4-methoxyaniline
VXC73543	4-Iodo-2-methoxyaniline hydrochloride
sc-352424A	4-iodo-3-methoxyaniline
426109-01	3-iodo-4-methoxyaniline
LZB16219-01	4-Chloro-2-iodo-5-methoxyaniline
JH917158	3-fluoro-2-iodo-4-methoxyaniline
sc-342795A	2-iodo-5-methoxyaniline
sc-268080	5-Iodo-2-methoxyaniline
426110-01	3-Iodo-4-methoxyaniline, HCl