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6-Iodoisatin

CAT: 0926-FI66944-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FI66944-01Size:100 mg
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CAS Number
20780-77-2
MDL Number
MFCD01925283
Smiles
C1=CC2=C (C=C1I) NC (=O) C2=O
Molecular Formula
C8H4INO2
Molecular Weight
273.03 g/mol
Controlled
No

Chemical Information

6-iodo-2,3-dihydro-1H-indole-2,3-dione
CAS Number20780-77-2
PubChem CID14387274
IUPAC Name6-iodo-1H-indole-2,3-dione
Molecular FormulaC8H4INO2
Molecular Weight273.03
XLogP1.5
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity241
SMILES
C1=CC2=C(C=C1I)NC(=O)C2=O
InChI
InChI=1S/C8H4INO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)
InChIKey
PHKAOEGXBSERHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-iodo-2,3-dihydro-1H-indole-2,3-dione
CAS: 20780-77-2
CID: 14387274
Formula: C8H4INO2
MW: 273.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.03
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass272.92868
Monoisotopic Mass272.92868
Topological Polar Surface Area46.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity241
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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