| CAS Number | 1006538-60-8 |
| Catalog Number | AG01A1LJ(AGN-PC-0WO7AM) |
| Chemical Name | 4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazole |
| IUPAC Name | 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole |
| InChI | InChI=1S/C10H8BrClN2/c11-9-5-13-14(7-9)6-8-1-3-10(12)4-2-8/h1-5,7H,6H2 |
| InChI Key | QPXQTEHJMLNIGU-UHFFFAOYSA-N |
| MDL Number | MFCD02828761 |
| Molecular Formula | C10H8BrClN2 |
| Molecular Weight | 271.5409 |
| SMILES | ClC1=CC=C(CN2N=CC(Br)=C2)C=C1 |
| Synonyms | 4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazole,
1006538-60-8,
ZINC38074876,
AKOS010258830,
MCULE-2849219153,
NE23571,
1-(4-Chlorobenzyl)-4-bromo-1H-pyrazole,
Z839707246,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.542g/mol |
| Monoisotopic Mass | 269.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number