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2-Hydroxy-5-iodo-benzonitrile

CAT: 0024-sc-265725Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-265725Size:1 g
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CAS Number
685103-95-1

Chemical Information

2-Hydroxy-5-iodo-benzonitrile
CAS Number685103-95-1
PubChem CID7023040
IUPAC Name2-hydroxy-5-iodobenzonitrile
Molecular FormulaC7H4INO
Molecular Weight245.02
XLogP2.5
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity162
SMILES
C1=CC(=C(C=C1I)C#N)O
InChI
InChI=1S/C7H4INO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
InChIKey
LWXJFPSARBURQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-5-iodo-benzonitrile
CAS: 685103-95-1
CID: 7023040
Formula: C7H4INO
MW: 245.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.02
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass244.93376
Monoisotopic Mass244.93376
Topological Polar Surface Area44 Ų
Heavy Atom Count10
Formal Charge0
Complexity162
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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