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2-Hydroxy-6-iodobenzaldehyde

CAT: 0127-OR400152-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR400152-01Size:100 mg
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CAS Number
38169-97-0
MDL Number
MFCD15143223
Purity
98%
Smiles
Oc1cccc(I)c1C=O

Chemical Information

2-Hydroxy-6-iodobenzaldehyde
CAS Number38169-97-0
PubChem CID12023200
IUPAC Name2-hydroxy-6-iodobenzaldehyde
Molecular FormulaC7H5IO2
Molecular Weight248.02
XLogP2.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=CC(=C(C(=C1)I)C=O)O
InChI
InChI=1S/C7H5IO2/c8-6-2-1-3-7(10)5(6)4-9/h1-4,10H
InChIKey
OMXBWJYYNNGFIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-6-iodobenzaldehyde
CAS: 38169-97-0
CID: 12023200
Formula: C7H5IO2
MW: 248.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.02
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass247.93343
Monoisotopic Mass247.93343
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
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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