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3993-79-1 | 5-Iodoisocytosine
CAS No: 3993-79-1 Catalog No: AG00CKB2 MDL No:MFCD21743096
Product Description
Catalog Number:
AG00CKB2
Chemical Name:
5-Iodoisocytosine
CAS Number:
3993-79-1
Molecular Formula:
C4H4IN3O
Molecular Weight:
236.9985
MDL Number:
MFCD21743096
IUPAC Name:
2-amino-5-iodo-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H4IN3O/c5-2-1-7-4(6)8-3(2)9/h1H,(H3,6,7,8,9)
InChI Key:
COBXLVJRFXFFSL-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(=O)[nH]1)I
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.94g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237g/mol
Monoisotopic Mass:
236.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Antiviral and other bioactivities of pyrimidinones. | Pharmacology & therapeutics 19850101 |
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