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163622-41-1 | 2,4(1H,3H)-Pyrimidinedione, 5-(2-iodoethenyl)-
CAS No: 163622-41-1 Catalog No: AG001U9X MDL No:
Product Description
Catalog Number:
AG001U9X
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-(2-iodoethenyl)-
CAS Number:
163622-41-1
Molecular Formula:
C6H5IN2O2
Molecular Weight:
264.0206
IUPAC Name:
5-(2-iodoethenyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C6H5IN2O2/c7-2-1-4-3-8-6(11)9-5(4)10/h1-3H,(H2,8,9,10,11)
InChI Key:
KTZDXHJATZVCLY-UHFFFAOYSA-N
SMILES:
IC=Cc1c[nH]c(=O)[nH]c1=O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.94g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.022g/mol
Monoisotopic Mass:
263.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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