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161263-60-1 | 2,4(1H,3H)-Pyrimidinedione, 3-benzoyl-5-iodo-
CAS No: 161263-60-1 Catalog No: AG001SAB MDL No:
Product Description
Catalog Number:
AG001SAB
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-benzoyl-5-iodo-
CAS Number:
161263-60-1
Molecular Formula:
C11H7IN2O3
Molecular Weight:
342.0894
IUPAC Name:
3-benzoyl-5-iodo-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H7IN2O3/c12-8-6-13-11(17)14(10(8)16)9(15)7-4-2-1-3-5-7/h1-6H,(H,13,17)
InChI Key:
IFJZHMIMIMJXJU-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc(c(=O)n1C(=O)c1ccccc1)I
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.95g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.092g/mol
Monoisotopic Mass:
341.95g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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