| CAS Number | 1179798-11-8 |
| Catalog Number | AG003KUN(AGN-PC-0WAA0M) |
| Chemical Name | 4-Bromo-1-(pyridin-4-ylmethyl)pyrazole |
| IUPAC Name | 4-[(4-bromopyrazol-1-yl)methyl]pyridine |
| InChI | InChI=1S/C9H8BrN3/c10-9-5-12-13(7-9)6-8-1-3-11-4-2-8/h1-5,7H,6H2 |
| InChI Key | XDBLWTXWXBNOCJ-UHFFFAOYSA-N |
| MDL Number | MFCD09909660 |
| Molecular Formula | C9H8BrN3 |
| Molecular Weight | 238.0839 |
| SMILES | Brc1cnn(c1)Cc1ccncc1 |
| Synonyms | 1179798-11-8,
4-BROMO-1-(PYRIDIN-4-YLMETHYL)PYRAZOLE,
4-((4-Bromo-1H-pyrazol-1-yl)methyl)pyridine,
4-BROMO-1-(PYRIDIN-4-YLMETHYL)-1H-PYRAZOLE,
4-[(4-Bromo-1H-pyrazol-1-yl)methyl]pyridine,
ACMC-2099vm,
CTK4B0530,
DTXSID20675299,
ANW-17072,
MFCD09909660,
ZINC38074743,
AKOS010258551,
4-[(4-bromopyrazol-1-yl)methyl]pyridine,
AJ-94522,
BC000095,
TR-034185,
Z7873,
A-5236,
4-(4-BROMO-PYRAZOL-1-YLMETHYL)-PYRIDINE,
I14-24718,
C9H8BrN3,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.088g/mol |
| Monoisotopic Mass | 236.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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