| CAS Number | 1343099-23-9 |
| Catalog Number | AG01C1UN |
| Chemical Name | 2-(1-phenyl-1H-pyrazol-3-yl)acetonitrile |
| IUPAC Name | 2-(1-phenylpyrazol-3-yl)acetonitrile |
| InChI | InChI=1S/C11H9N3/c12-8-6-10-7-9-14(13-10)11-4-2-1-3-5-11/h1-5,7,9H,6H2 |
| InChI Key | IJNRBGYVKVGQMR-UHFFFAOYSA-N |
| MDL Number | MFCD17241439 |
| Molecular Formula | C11H9N3 |
| Molecular Weight | 183.2093 |
| SMILES | N#CCC1=NN(C2=CC=CC=C2)C=C1 |
| Synonyms | 2-(1-phenyl-1H-pyrazol-3-yl)acetonitrile,
1343099-23-9,
SCHEMBL15752412,
ZINC61641178,
AKOS012181508,
Z2293644229,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.214g/mol |
| Monoisotopic Mass | 183.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number