200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 68490-63-1
68490-63-1 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compd. with 2-phenyl-1H-imidazole (1:1)
CAS No: 68490-63-1 Catalog No: AG0063DL MDL No:
Product Description
Catalog Number:
AG0063DL
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compd. with 2-phenyl-1H-imidazole (1:1)
CAS Number:
68490-63-1
Molecular Formula:
C12H11N5O3
Molecular Weight:
273.2474
IUPAC Name:
2-phenyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C9H8N2.C3H3N3O3/c1-2-4-8(5-3-1)9-10-6-7-11-9;7-1-4-2(8)6-3(9)5-1/h1-7H,(H,10,11);(H3,4,5,6,7,8,9)
InChI Key:
RJIQELZAIWFNTQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ncc[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
273.252g/mol
Monoisotopic Mass:
273.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.