| CAS Number | 1548477-52-6 |
| Catalog Number | AG01AFTW(AGN-PC-0WO86W) |
| Chemical Name | 3-(4-Bromo-2-fluorophenyl)-1H-pyrazole |
| IUPAC Name | 5-(4-bromo-2-fluorophenyl)-1H-pyrazole |
| InChI | InChI=1S/C9H6BrFN2/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-5H,(H,12,13) |
| InChI Key | YAYHHBUQIXUYRV-UHFFFAOYSA-N |
| MDL Number | MFCD24341866 |
| Molecular Formula | C9H6BrFN2 |
| Molecular Weight | 241.0597 |
| SMILES | FC1=C(C2=NNC=C2)C=CC(Br)=C1 |
| Synonyms | 3-(4-bromo-2-fluorophenyl)-1H-pyrazole,
1548477-52-6,
ZINC95884006,
AKOS021293429,
MCULE-3743211545,
NE55080,
Z1741880756,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.063g/mol |
| Monoisotopic Mass | 239.97g/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
Certificate of Analysis
Lot Number