| CAS Number | 1417982-47-8 |
| Catalog Number | AG01DHBQ |
| Chemical Name | 4-bromo-5-ethyl-3-(trifluoromethyl)-1H-Pyrazole |
| IUPAC Name | 4-bromo-5-ethyl-3-(trifluoromethyl)-1H-pyrazole |
| InChI | InChI=1S/C6H6BrF3N2/c1-2-3-4(7)5(12-11-3)6(8,9)10/h2H2,1H3,(H,11,12) |
| InChI Key | ABNJLIKODABCNP-UHFFFAOYSA-N |
| MDL Number | MFCD31801676 |
| Molecular Formula | C6H6BrF3N2 |
| Molecular Weight | 243.0244 |
| SMILES | CCc1[nH]nc(c1Br)C(F)(F)F |
| Synonyms | 4-bromo-5-ethyl-3-(trifluoromethyl)-1H-pyrazole,
1417982-47-8,
SCHEMBL14487631,
ABNJLIKODABCNP-UHFFFAOYSA-N,
AKOS015901803,
I14-14647,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.027g/mol |
| Monoisotopic Mass | 241.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number