| CAS Number | 1340161-36-5 |
| Catalog Number | AG01A3QX(AGN-PC-0WOAT2) |
| Chemical Name | 4-bromo-1-(1-phenylethyl)-1H-pyrazole |
| IUPAC Name | 4-bromo-1-(1-phenylethyl)pyrazole |
| InChI | InChI=1S/C11H11BrN2/c1-9(10-5-3-2-4-6-10)14-8-11(12)7-13-14/h2-9H,1H3 |
| InChI Key | LFCSPMPEKQNHCZ-UHFFFAOYSA-N |
| MDL Number | MFCD19102667 |
| Molecular Formula | C11H11BrN2 |
| Molecular Weight | 251.1224 |
| SMILES | CC(N1N=CC(Br)=C1)C1=CC=CC=C1 |
| Synonyms | 4-bromo-1-(1-phenylethyl)-1H-pyrazole,
1340161-36-5,
AKOS013438117,
MCULE-9745577860,
NE54809,
Z1536827822,
|
| Complexity | 180 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number