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Home > Indoles and Oxindole > 20780-77-2
20780-77-2 | 1H-Indole-2,3-dione, 6-iodo-
CAS No: 20780-77-2 Catalog No: AG002JAO MDL No:MFCD01925283
Product Description
Catalog Number:
AG002JAO
Chemical Name:
1H-Indole-2,3-dione, 6-iodo-
CAS Number:
20780-77-2
Molecular Formula:
C8H4INO2
Molecular Weight:
273.0273
MDL Number:
MFCD01925283
IUPAC Name:
6-iodo-1H-indole-2,3-dione
InChI:
InChI=1S/C8H4INO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)
InChI Key:
PHKAOEGXBSERHX-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)NC(=O)C2=O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.029g/mol
Monoisotopic Mass:
272.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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