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2-Iodo-4-methoxy-benzamide

CAT: 1266-JH920675Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1369864-41-4
Molecular Formula
C8H8INO2
Molecular Weight
277.06

Chemical Information

2-Iodo-4-methoxybenzamide
CAS Number1369864-41-4
PubChem CID124037049
IUPAC Name2-iodo-4-methoxybenzamide
Molecular FormulaC8H8INO2
Molecular Weight277.06
XLogP1.4
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity174
SMILES
COC1=CC(=C(C=C1)C(=O)N)I
InChI
InChI=1S/C8H8INO2/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11)
InChIKey
VNRMZBZJBYUISW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodo-4-methoxybenzamide
CAS: 1369864-41-4
CID: 124037049
Formula: C8H8INO2
MW: 277.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.06
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass276.95998
Monoisotopic Mass276.95998
Topological Polar Surface Area52.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity174
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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