| CAS Number | 1248441-89-5 |
| Catalog Number | AG01AM7W |
| Chemical Name | 2-(3-cyclopropyl-1H-pyrazol-1-yl)benzonitrile |
| IUPAC Name | 2-(3-cyclopropylpyrazol-1-yl)benzonitrile |
| InChI | InChI=1S/C13H11N3/c14-9-11-3-1-2-4-13(11)16-8-7-12(15-16)10-5-6-10/h1-4,7-8,10H,5-6H2 |
| InChI Key | YYAWTQVNFSZBGK-UHFFFAOYSA-N |
| MDL Number | MFCD16778507 |
| Molecular Formula | C13H11N3 |
| Molecular Weight | 209.2465 |
| SMILES | N#CC1=C(N2N=C(C3CC3)C=C2)C=CC=C1 |
| Synonyms | 2-(3-cyclopropyl-1H-pyrazol-1-yl)benzonitrile,
1248441-89-5,
ZINC52884198,
AKOS011776176,
BC4397523,
EN300-223344,
Z2234185668,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.252g/mol |
| Monoisotopic Mass | 209.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number