| CAS Number | 17978-27-7 |
| Catalog Number | AG00AX3Z(AGN-PC-0O5338) |
| Chemical Name | 4-bromo-3-(4-chlorophenyl)-1H-pyrazole |
| IUPAC Name | 4-bromo-5-(4-chlorophenyl)-1H-pyrazole |
| InChI | InChI=1S/C9H6BrClN2/c10-8-5-12-13-9(8)6-1-3-7(11)4-2-6/h1-5H,(H,12,13) |
| InChI Key | DUYIFLCOHJZQKG-UHFFFAOYSA-N |
| MDL Number | MFCD11226935 |
| Molecular Formula | C9H6BrClN2 |
| Molecular Weight | 257.5143 |
| SMILES | ClC1=CC=C(C2C(Br)=CNN=2)C=C1 |
| Synonyms | 4-BROMO-3-(4-CHLOROPHENYL)-1H-PYRAZOLE,
17978-27-7,
4-bromo-5-(4-chlorophenyl)-1H-pyrazole,
1H-Pyrazole, 4-bromo-3-(4-chlorophenyl)-,
SCHEMBL3848746,
DUYIFLCOHJZQKG-UHFFFAOYSA-N,
ZINC42415140,
AKOS010654615,
AKOS016908730,
MCULE-1736382496,
NE24335,
RP29188,
Z1416203172,
|
| Complexity | 171 |
| 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