| CAS Number | 956726-60-6 |
| Catalog Number | AG019ORX |
| Chemical Name | 5-methyl-5-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]imidazolidine-2,4-dione |
| IUPAC Name | 5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione |
| InChI | InChI=1S/C11H10N6O2/c1-11(9(18)13-10(19)14-11)7-3-2-4-8(5-7)17-6-12-15-16-17/h2-6H,1H3,(H2,13,14,18,19) |
| InChI Key | UERGTDHREWSFSJ-UHFFFAOYSA-N |
| MDL Number | MFCD07366454 |
| Molecular Formula | C11H10N6O2 |
| Molecular Weight | 258.2361 |
| SMILES | CC1(C2=CC(N3N=NN=C3)=CC=C2)C(=O)NC(=O)N1 |
| Synonyms | 5-methyl-5-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]imidazolidine-2,4-dione,
5-methyl-5-[3-(1H-tetrazol-1-yl)phenyl]imidazolidine-2,4-dione,
956726-60-6,
AC1Q2D07,
CTK7H5525,
AKOS000263317,
AKOS017279545,
MCULE-7274314562,
NE13640,
EN300-15025,
Z118438296,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.241g/mol |
| Monoisotopic Mass | 258.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number