| CAS Number | 885017-82-3 |
| Catalog Number | AG00IF47(AGN-PC-0BSZOS) |
| Chemical Name | 1H-Pyrazole, 4-bromo-1-(4-chlorophenyl)- |
| IUPAC Name | 4-bromo-1-(4-chlorophenyl)pyrazole |
| InChI | InChI=1S/C9H6BrClN2/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9/h1-6H |
| InChI Key | ZTXBFJAPHHIBFG-UHFFFAOYSA-N |
| MDL Number | MFCD17677464 |
| Molecular Formula | C9H6BrClN2 |
| Molecular Weight | 257.5143 |
| SMILES | BrC=1C=NN(C1)C1=CC=C(C=C1)Cl |
| Synonyms | 885017-82-3,
4-Bromo-1-(4-chlorophenyl)pyrazole,
4-bromo-1-(4-chlorophenyl)-1H-pyrazole,
SCHEMBL182108,
ZTXBFJAPHHIBFG-UHFFFAOYSA-N,
ZINC72193395,
4-bromo-1-(4-chlorophenyl)-pyrazole,
AKOS015946864,
1H-Pyrazole, 4-bromo-1-(4-chlorophenyl)-,
AM20041304,
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| 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 | 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 |
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Certificate of Analysis
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