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M-Acetanisidide, 2-iodo-

CAT: 0013-GTR19223250-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223250-01Size:100 mg
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Description
2-Iodo-m-acetanisidide is a bioactive small molecule compound utilized in chemical and pharmacological research. It serves as a synthetic intermediate and a tool compound for in vitro studies, including investigations into structure-activity relationships and molecular interactions.
CAS Number
17641-09-7
Smiles
O=C (NC=1C=CC=C (OC) C1) CI
Molecular Formula
C9H10INO2
Molecular Weight
291.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Iodo-N-(3-methoxyphenyl)acetamide
CAS Number17641-09-7
PubChem CID28668
IUPAC Name2-iodo-N-(3-methoxyphenyl)acetamide
Molecular FormulaC9H10INO2
Molecular Weight291.09
XLogP2
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity175
SMILES
COC1=CC=CC(=C1)NC(=O)CI
InChI
InChI=1S/C9H10INO2/c1-13-8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
YQIDLNFAIBNVOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodo-N-(3-methoxyphenyl)acetamide
CAS: 17641-09-7
CID: 28668
Formula: C9H10INO2
MW: 291.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.09
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass290.97563
Monoisotopic Mass290.97563
Topological Polar Surface Area38.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity175
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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