| CAS Number | 58416-69-6 |
| Catalog Number | AG019Y9R(AGN-PC-0NGBMK) |
| Chemical Name | 1-(2-phenylethyl)-1H-pyrazole |
| IUPAC Name | 1-(2-phenylethyl)pyrazole |
| InChI | InChI=1S/C11H12N2/c1-2-5-11(6-3-1)7-10-13-9-4-8-12-13/h1-6,8-9H,7,10H2 |
| InChI Key | JEXOBLNGJXHXPS-UHFFFAOYSA-N |
| MDL Number | MFCD18889180 |
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.2264 |
| SMILES | C(C1=CC=CC=C1)CN1N=CC=C1 |
| Synonyms | 1-phenethyl-1H-pyrazole,
1-(2-phenylethyl)-1H-pyrazole,
58416-69-6,
SCHEMBL1245220,
JEXOBLNGJXHXPS-UHFFFAOYSA-N,
ZINC38282343,
AKOS013125098,
MCULE-6758890652,
Z1342244770,
1-phenethylpyrazole,
CID11126737,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.231g/mol |
| Monoisotopic Mass | 172.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number