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100517-91-7 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(2-phenyldiazenyl)-
CAS No: 100517-91-7 Catalog No: AG00028C MDL No:
Product Description
Catalog Number:
AG00028C
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(2-phenyldiazenyl)-
CAS Number:
100517-91-7
Molecular Formula:
C12H12N4O3
Molecular Weight:
260.2487
IUPAC Name:
1,3-dimethyl-5-phenyldiazenyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C12H12N4O3/c1-15-10(17)9(11(18)16(2)12(15)19)14-13-8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChI Key:
IRGUUYPPYQUQQM-UHFFFAOYSA-N
SMILES:
CN1C(=O)C(N=Nc2ccccc2)C(=O)N(C1=O)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.253g/mol
Monoisotopic Mass:
260.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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