| CAS Number | 903821-75-0 |
| Catalog Number | AG019L3P |
| Chemical Name | 1-[(4-methylphenyl)methyl]-4-nitro-1H-imidazole |
| IUPAC Name | 1-[(4-methylphenyl)methyl]-4-nitroimidazole |
| InChI | InChI=1S/C11H11N3O2/c1-9-2-4-10(5-3-9)6-13-7-11(12-8-13)14(15)16/h2-5,7-8H,6H2,1H3 |
| InChI Key | FODVRWXXURQQGO-UHFFFAOYSA-N |
| MDL Number | MFCD02029315 |
| Molecular Formula | C11H11N3O2 |
| Molecular Weight | 217.2239 |
| SMILES | CC1=CC=C(CN2C=C([N+]([O-])=O)N=C2)C=C1 |
| Synonyms | 1-[(4-methylphenyl)methyl]-4-nitro-1H-imidazole,
1-(4-methylbenzyl)-4-nitro-1H-imidazole,
903821-75-0,
AC1Q2LZG,
CTK6B8313,
ZINC12627809,
AKOS008098195,
MCULE-5666228314,
NE12017,
EN300-29728,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.228g/mol |
| Monoisotopic Mass | 217.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number