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45774-47-8 | 2,4(1H,3H)-Pyrimidinedione, 5-iodo-1-methyl-
CAS No: 45774-47-8 Catalog No: AG00IM8H MDL No:MFCD22578662
Product Description
Catalog Number:
AG00IM8H
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-iodo-1-methyl-
CAS Number:
45774-47-8
Molecular Formula:
C5H5IN2O2
Molecular Weight:
252.0099
MDL Number:
MFCD22578662
IUPAC Name:
5-iodo-1-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C5H5IN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChI Key:
VQCQTJWSCCBUFL-UHFFFAOYSA-N
SMILES:
Ic1cn(C)c(=O)[nH]c1=O
Properties
Complexity:
224
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:
1
Isotope Atom Count:
0
Molecular Weight:
252.011g/mol
Monoisotopic Mass:
251.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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