| CAS Number | 1245772-68-2 |
| Catalog Number | AG009WWX(AGN-PC-0WBD0L) |
| Chemical Name | 4-Bromo-1-ethyl-3-(trifluoromethyl)pyrazole |
| IUPAC Name | 4-bromo-1-ethyl-3-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C6H6BrF3N2/c1-2-12-3-4(7)5(11-12)6(8,9)10/h3H,2H2,1H3 |
| InChI Key | DPIASTGKYPRSIE-UHFFFAOYSA-N |
| MDL Number | MFCD15976413 |
| Molecular Formula | C6H6BrF3N2 |
| Molecular Weight | 243.0244 |
| SMILES | CCN1N=C(C(F)(F)F)C(Br)=C1 |
| Synonyms | 1245772-68-2,
4-bromo-1-ethyl-3-(trifluoromethyl)pyrazole,
4-BROMO-1-ETHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE,
SCHEMBL17066899,
KM3802,
MFCD15976413,
SBB073393,
ZINC72209425,
AKOS005169287,
FCH1391548,
MCULE-1195660354,
ST45255981,
Z8810,
EN300-232456,
C6H6BrF3N2,
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| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.027g/mol |
| Monoisotopic Mass | 241.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number