| CAS Number | 60472-21-1 |
| Catalog Number | AG01EJE2(AGN-PC-0OD404) |
| Chemical Name | 4-(4-nitrophenyl)-1H-imidazol-2-amine |
| IUPAC Name | 5-(4-nitrophenyl)-1H-imidazol-2-amine |
| InChI | InChI=1S/C9H8N4O2/c10-9-11-5-8(12-9)6-1-3-7(4-2-6)13(14)15/h1-5H,(H3,10,11,12) |
| InChI Key | BJZNYQMDYLRHPF-UHFFFAOYSA-N |
| MDL Number | MFCD18207582 |
| Molecular Formula | C9H8N4O2 |
| Molecular Weight | 204.1854 |
| SMILES | NC1NC=C(C2=CC=C([N+]([O-])=O)C=C2)N=1 |
| Synonyms | 4-(4-nitrophenyl)-1H-imidazol-2-amine,
60472-21-1,
4-(4-Nitrophenyl)-1H-imidazol-2-ylamine,
SCHEMBL1665480,
CHEMBL1649774,
SCHEMBL20500982,
BJZNYQMDYLRHPF-UHFFFAOYSA-N,
ZINC31891173,
AKOS010003341,
2-Amino-4-(4-nitrophenyl)-1H-imidazole,
2-amino-4-(4-nitro-phenyl)-1H-imidazole,
4-(4-Nitrophenyl)-1H-imidazole-2-ylamine,
Z2467523240,
1375102-67-2,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.189g/mol |
| Monoisotopic Mass | 204.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number