| CAS Number | 1249152-29-1 |
| Catalog Number | AG01BA8V |
| Chemical Name | 1-[(4-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazole |
| IUPAC Name | 1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazole |
| InChI | InChI=1S/C12H13BrN2/c1-9-7-10(2)15(14-9)8-11-3-5-12(13)6-4-11/h3-7H,8H2,1-2H3 |
| InChI Key | TXDPBRCODGKEKX-UHFFFAOYSA-N |
| MDL Number | MFCD14686862 |
| Molecular Formula | C12H13BrN2 |
| Molecular Weight | 265.149 |
| SMILES | CC1=NN(CC2=CC=C(Br)C=C2)C(C)=C1 |
| Synonyms | 1-[(4-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazole,
1249152-29-1,
ZINC9471537,
AKOS010793597,
Z1203803767,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.154g/mol |
| Monoisotopic Mass | 264.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number