| CAS Number | 1784581-61-8 |
| Catalog Number | AG01DYY5 |
| Chemical Name | 1-(4-bromo-2-chlorophenyl)-1H-pyrazole |
| IUPAC Name | 1-(4-bromo-2-chlorophenyl)pyrazole |
| InChI | InChI=1S/C9H6BrClN2/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-6H |
| InChI Key | STJCENWHPSVKDV-UHFFFAOYSA-N |
| MDL Number | MFCD30237947 |
| Molecular Formula | C9H6BrClN2 |
| Molecular Weight | 257.5143 |
| SMILES | ClC1=C(N2N=CC=C2)C=CC(Br)=C1 |
| Synonyms | 1-(4-bromo-2-chlorophenyl)-1H-pyrazole,
1784581-61-8,
AKOS024116798,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.515g/mol |
| Monoisotopic Mass | 255.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number