| CAS Number | 1554828-69-1 |
| Catalog Number | AG01AFTZ(AGN-PC-0WO3OU) |
| Chemical Name | 3-(4-bromo-2-chlorophenyl)-1H-pyrazole |
| IUPAC Name | 5-(4-bromo-2-chlorophenyl)-1H-pyrazole |
| InChI | InChI=1S/C9H6BrClN2/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-5H,(H,12,13) |
| InChI Key | MXKFPDQKKOGZTO-UHFFFAOYSA-N |
| MDL Number | MFCD24306029 |
| Molecular Formula | C9H6BrClN2 |
| Molecular Weight | 257.5143 |
| SMILES | ClC1=C(C2=NNC=C2)C=CC(Br)=C1 |
| Synonyms | 3-(4-bromo-2-chlorophenyl)-1H-pyrazole,
1554828-69-1,
ZINC95884009,
AKOS021097422,
MCULE-1277319789,
NE41364,
Z1741880714,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.515g/mol |
| Monoisotopic Mass | 255.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number