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4269-94-7 | 6-Iodouracil
CAS No: 4269-94-7 Catalog No: AG003N90 MDL No:MFCD01346695
Product Description
Catalog Number:
AG003N90
Chemical Name:
6-Iodouracil
CAS Number:
4269-94-7
Molecular Formula:
C4H3IN2O2
Molecular Weight:
237.9833
MDL Number:
MFCD01346695
IUPAC Name:
6-iodo-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C4H3IN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
InChI Key:
KSLZHGYKGYWHOO-UHFFFAOYSA-N
SMILES:
Ic1cc(=O)[nH]c(=O)[nH]1
NSC Number:
51094
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.924g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.984g/mol
Monoisotopic Mass:
237.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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