| CAS Number | 1403483-58-8 |
| Catalog Number | AG009WY0(AGN-PC-0WNX8B) |
| Chemical Name | 3-(4-Bromophenyl)-1-propylpyrazole HCl |
| IUPAC Name | 3-(4-bromophenyl)-1-propylpyrazole;hydrochloride |
| InChI | InChI=1S/C12H13BrN2.ClH/c1-2-8-15-9-7-12(14-15)10-3-5-11(13)6-4-10;/h3-7,9H,2,8H2,1H3;1H |
| InChI Key | VYXZVEMYGVIJBZ-UHFFFAOYSA-N |
| MDL Number | MFCD22549317 |
| Molecular Formula | C12H14BrClN2 |
| Molecular Weight | 301.6100 |
| SMILES | CCCn1ccc(n1)c1ccc(cc1)Br.Cl |
| Synonyms | 3-(4-Bromophenyl)-1-propylpyrazole HCl,
1403483-58-8,
C12H14BrClN2,
KM3812,
V3057,
3-(4-BROMOPHENYL)-1-PROPYL-1H-PYRAZOLE HYDROCHLORIDE,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.612g/mol |
| Monoisotopic Mass | 300.003g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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