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188898-24-0 | 4(1H)-Pyrimidinone, 2,6-dimethyl-1,5-diphenyl-, perchlorate (1:1)
CAS No: 188898-24-0 Catalog No: AG002HHA MDL No:
Product Description
Catalog Number:
AG002HHA
Chemical Name:
4(1H)-Pyrimidinone, 2,6-dimethyl-1,5-diphenyl-, perchlorate (1:1)
CAS Number:
188898-24-0
Molecular Formula:
C18H17ClN2O5
Molecular Weight:
376.7910
IUPAC Name:
2,6-dimethyl-1,5-diphenylpyrimidin-4-one;perchloric acid
InChI:
InChI=1S/C18H16N2O.ClHO4/c1-13-17(15-9-5-3-6-10-15)18(21)19-14(2)20(13)16-11-7-4-8-12-16;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)
InChI Key:
JTVRFRTYTMDBBF-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.Cc1nc(=O)c(c(n1c1ccccc1)C)c1ccccc1
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.793g/mol
Monoisotopic Mass:
376.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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