| CAS Number | 1351385-49-3 |
| Catalog Number | AG00HTW7 |
| Chemical Name | 4-(4-Bromophenyl)-1-ethylpyrazole |
| IUPAC Name | 4-(4-bromophenyl)-1-ethylpyrazole |
| InChI | InChI=1S/C11H11BrN2/c1-2-14-8-10(7-13-14)9-3-5-11(12)6-4-9/h3-8H,2H2,1H3 |
| InChI Key | OYVXRZFNWKKKRQ-UHFFFAOYSA-N |
| MDL Number | MFCD20491973 |
| Molecular Formula | C11H11BrN2 |
| Molecular Weight | 251.1224 |
| SMILES | CCn1ncc(c1)c1ccc(cc1)Br |
| Synonyms | 4-(4-BROMOPHENYL)-1-ETHYLPYRAZOLE,
1351385-49-3,
4-(4-Bromophenyl)-1-ethyl-1H-pyrazole,
ZINC72209975,
AKOS017975758,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.127g/mol |
| Monoisotopic Mass | 250.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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