5-Iodoisatin

CAT: 0024-sc-226981Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226981Size:5 g

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CAS Number

20780-76-1

Chemical Information

5-Iodoisatin

5-Iodoisatin is a member of indoles. It has a role as an anticoronaviral agent.

CAS Number	20780-76-1
PubChem CID	88695
IUPAC Name	5-iodo-1H-indole-2,3-dione
Molecular Formula	C8H4INO2
Molecular Weight	273.03
XLogP	1.5
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	241

SMILES

C1=CC2=C(C=C1I)C(=O)C(=O)N2

InChI

InChI=1S/C8H4INO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)

InChIKey

OEUGDMOJQQLVAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20780-76-1

CID: 88695

Formula: C8H4INO2

MW: 273.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.03
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	272.92868
Monoisotopic Mass	272.92868
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-262725	5,5,5-Trifluorovaleronitrile
sc-284696	5,5,5-Trifluoronorvaline
sc-262724	5,5,5-Trifluorovaleric acid
sc-262724A	5,5,5-Trifluorovaleric acid
sc-207058	5,5-Diethoxypentanal
sc-239077	5,5-Dimethylhydantoin
sc-207059D	5,5'-Dihydroxylysinonorleucine
sc-262727	5,5'-Dimethyldipyrromethane
sc-239077A	5,5-Dimethylhydantoin
sc-207059E	5,5'-Dihydroxylysinonorleucine

Catalog	Name
281018-01	5-Iodoisatin
FI66944-01	6-Iodoisatin
FI67680-01	4-Iodoisatin
OR471280-01	7-Iodoisatin
234404-01	5,5,5-Trifluoronorvaline
PDA86661	5,5,5-Trifluoropentanonitrile
JH238299	5,5,5-trifluoroleucine
AKA25347-01	5,5,5-Trifluoropentanal
TRC-F632600-2.5G	N-Fmoc-5,5,5,5',5',5'-Hexafluoro-L-leucine
OR1058406-01	5,5',5'',5'''-Methanetetrayltetrakis (2-hydroxybenzaldehyde)