| CAS Number | 372107-20-5 |
| Catalog Number | AG01BEOU(AGN-PC-0KEQXU) |
| Chemical Name | 3-(4-bromophenyl)-4-(chloromethyl)-1-phenyl-1H-pyrazole |
| IUPAC Name | 3-(4-bromophenyl)-4-(chloromethyl)-1-phenylpyrazole |
| InChI | InChI=1S/C16H12BrClN2/c17-14-8-6-12(7-9-14)16-13(10-18)11-20(19-16)15-4-2-1-3-5-15/h1-9,11H,10H2 |
| InChI Key | DDGIDTFWNOEHRV-UHFFFAOYSA-N |
| MDL Number | MFCD02705857 |
| Molecular Formula | C16H12BrClN2 |
| Molecular Weight | 347.6369 |
| SMILES | ClCC1C(C2=CC=C(Br)C=C2)=NN(C2=CC=CC=C2)C=1 |
| Synonyms | 372107-20-5,
3-(4-bromophenyl)-4-(chloromethyl)-1-phenyl-1H-pyrazole,
AC1M50L2,
CTK1B5824,
DTXSID80368059,
ZINC3188457,
AKOS001010518,
MCULE-8186524048,
3-(4-bromophenyl)-4-(chloromethyl)-1-phenylpyrazole,
T0503-6723,
1H-Pyrazole, 3-(4-bromophenyl)-4-(chloromethyl)-1-phenyl-,
ZINC03188457,
CID2319462,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.64g/mol |
| Monoisotopic Mass | 345.987g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
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