| CAS Number | 13808-73-6 |
| Catalog Number | AG01FCPO(AGN-PC-3H49N9) |
| Chemical Name | 4-Methyl-1-(4-nitrophenyl)-1H-pyrazole |
| IUPAC Name | 4-methyl-1-(4-nitrophenyl)pyrazole |
| InChI | InChI=1S/C10H9N3O2/c1-8-6-11-12(7-8)9-2-4-10(5-3-9)13(14)15/h2-7H,1H3 |
| InChI Key | HZGPNJQZKRDJDL-UHFFFAOYSA-N |
| MDL Number | MFCD00957107 |
| Molecular Formula | C10H9N3O2 |
| Molecular Weight | 203.1974 |
| SMILES | Cc1cnn(c1)c1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 4-methyl-1-(4-nitrophenyl)pyrazole,
4-methyl-1-(4-nitrophenyl)-1H-pyrazole,
13808-73-6,
AC1NB4LC,
SCHEMBL11962622,
ZINC5423216,
STL412524,
AKOS010094737,
MCULE-9639137228,
1-(4-Nitrophenyl)-4-methyl-1H-pyrazole,
ST45255825,
CID4437490,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.201g/mol |
| Monoisotopic Mass | 203.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number