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1461-67-2 | 2,4(1H,3H)-Pyrimidinedione, 5-iodo-6-methyl-
CAS No: 1461-67-2 Catalog No: AG001DOR MDL No:MFCD00192229
Product Description
Catalog Number:
AG001DOR
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-iodo-6-methyl-
CAS Number:
1461-67-2
Molecular Formula:
C5H5IN2O2
Molecular Weight:
252.0099
MDL Number:
MFCD00192229
IUPAC Name:
5-iodo-6-methyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H5IN2O2/c1-2-3(6)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10)
InChI Key:
SYWCZCQBZPXNIV-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=O)[nH]c(=O)c1I
NSC Number:
266138
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.94g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.011g/mol
Monoisotopic Mass:
251.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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