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4-Iodo-N-hydroxybenzamide

CAT: 0127-OR90771Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR90771Size:1 Each
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CAS Number
2593-31-9
MDL Number
MFCD11174917
Purity
98%
Smiles
O=C(NO)C1=CC=C(I)C=C1

Chemical Information

N-Hydroxy-4-iodobenzamide
CAS Number2593-31-9
PubChem CID615643
IUPAC NameN-hydroxy-4-iodobenzamide
Molecular FormulaC7H6INO2
Molecular Weight263.03
XLogP0.9
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity143
SMILES
C1=CC(=CC=C1C(=O)NO)I
InChI
InChI=1S/C7H6INO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)
InChIKey
HXIKIQLHKIBCOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Hydroxy-4-iodobenzamide
CAS: 2593-31-9
CID: 615643
Formula: C7H6INO2
MW: 263.03
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight263.03
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass262.94433
Monoisotopic Mass262.94433
Topological Polar Surface Area49.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity143
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