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16348-06-4 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(2-chlorophenyl)-
CAS No: 16348-06-4 Catalog No: AG001U5S MDL No:
Product Description
Catalog Number:
AG001U5S
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(2-chlorophenyl)-
CAS Number:
16348-06-4
Molecular Formula:
C10H7ClN2O3
Molecular Weight:
238.6272
IUPAC Name:
1-(2-chlorophenyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C10H7ClN2O3/c11-6-3-1-2-4-7(6)13-9(15)5-8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
InChI Key:
LNIXHUPAXUPYIZ-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)N(C(=O)N1)c1ccccc1Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.627g/mol
Monoisotopic Mass:
238.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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