| CAS Number | 1821387-73-8 |
| Catalog Number | AG00ATEE |
| Chemical Name | CU-T12-9 |
| IUPAC Name | N-methyl-4-nitro-2-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]aniline |
| InChI | InChI=1S/C17H13F3N4O2/c1-21-14-7-6-13(24(25)26)8-16(14)23-9-15(22-10-23)11-2-4-12(5-3-11)17(18,19)20/h2-10,21H,1H3 |
| InChI Key | LITXVDAFEYLWQE-UHFFFAOYSA-N |
| MDL Number | MFCD30182292 |
| Molecular Formula | C17H13F3N4O2 |
| Molecular Weight | 362.3059 |
| SMILES | FC(C1=CC=C(C2=CN(C3=CC([N+]([O-])=O)=CC=C3NC)C=N2)C=C1)(F)F |
| Synonyms | CU-T12-9,
1821387-73-8,
SCHEMBL17242578,
BCP16577,
AKOS025147363,
ZINC254286805,
NCGC00387491-01,
1-(2-Methylamino-5-nitrophenyl)-4-(4-trifluoro-methylphenyl)-1H-imidazole,
N-Methyl-4-nitro-2-(4-(4-trifluoromethyl)phenyl)-1H-imidazol-1-yl)aniline,
N-methyl-4-nitro-2-(4-(4-(trifluoromethyl)phenyl)-1H-imidazol-1-yl)aniline,
|
| Complexity | 491 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.312g/mol |
| Monoisotopic Mass | 362.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number