| CAS Number | 1292926-60-3 |
| Catalog Number | AG019ZWW |
| Chemical Name | 1-(3-Bromophenyl)-4-ethyl-3,5-dimethyl-1H-pyrazole |
| IUPAC Name | 1-(3-bromophenyl)-4-ethyl-3,5-dimethylpyrazole |
| InChI | InChI=1S/C13H15BrN2/c1-4-13-9(2)15-16(10(13)3)12-7-5-6-11(14)8-12/h5-8H,4H2,1-3H3 |
| InChI Key | HXUKSRQUJHQPEF-UHFFFAOYSA-N |
| MDL Number | MFCD14587119 |
| Molecular Formula | C13H15BrN2 |
| Molecular Weight | 279.1756 |
| SMILES | CCC1=C(C)N(C2=CC(Br)=CC=C2)N=C1C |
| Synonyms | 1-(3-bromophenyl)-4-ethyl-3,5-dimethyl-1H-pyrazole,
1292926-60-3,
ZINC49538288,
AKOS009057211,
MCULE-1954824057,
NE20411,
RP29808,
Z134873856,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.181g/mol |
| Monoisotopic Mass | 278.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number