| CAS Number | 13808-93-0 |
| Catalog Number | AG00HV89(AGN-PC-00ANU0) |
| Chemical Name | 4-Bromo-3,5-dimethyl-1-(4-nitrophenyl)pyrazole |
| IUPAC Name | 4-bromo-3,5-dimethyl-1-(4-nitrophenyl)pyrazole |
| InChI | InChI=1S/C11H10BrN3O2/c1-7-11(12)8(2)14(13-7)9-3-5-10(6-4-9)15(16)17/h3-6H,1-2H3 |
| InChI Key | LBSGBNRINWZGAW-UHFFFAOYSA-N |
| MDL Number | MFCD17477074 |
| Molecular Formula | C11H10BrN3O2 |
| Molecular Weight | 296.1200 |
| SMILES | [O-][N+](=O)c1ccc(cc1)n1nc(c(c1C)Br)C |
| Synonyms | 13808-93-0,
4-bromo-3,5-dimethyl-1-(4-nitrophenyl)pyrazole,
4-bromo-3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazole,
4-bromo-3,5-dimethyl-1-p-nitrophenylpyrazole,
STL415015,
ZINC50594558,
AKOS006145832,
MCULE-8596503963,
ST51061586,
1-(4-Nitrophenyl)-3,5-dimethyl-4-bromo-1H-pyrazole,
CID11514878,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.124g/mol |
| Monoisotopic Mass | 294.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number