| CAS Number | 98946-73-7 |
| Catalog Number | AG003CYF(AGN-PC-0WCYIH) |
| Chemical Name | 1-(4-Bromophenyl)-3-methyl-1H-pyrazole |
| IUPAC Name | 1-(4-bromophenyl)-3-methylpyrazole |
| InChI | InChI=1S/C10H9BrN2/c1-8-6-7-13(12-8)10-4-2-9(11)3-5-10/h2-7H,1H3 |
| InChI Key | HQNNVHWAUQVTKE-UHFFFAOYSA-N |
| MDL Number | MFCD11848680 |
| Molecular Formula | C10H9BrN2 |
| Molecular Weight | 237.0959 |
| SMILES | CC1=NN(C2=CC=C(Br)C=C2)C=C1 |
| Synonyms | 1-(4-BROMOPHENYL)-3-METHYL-1H-PYRAZOLE,
98946-73-7,
1-(4-Bromophenyl)-3-methylpyrazole,
SCHEMBL5544146,
CTK8B2799,
DTXSID30675189,
ANW-40968,
KM3491,
MFCD11848680,
ZINC38537734,
SC-30633,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.1g/mol |
| Monoisotopic Mass | 235.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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