| CAS Number | 143526-42-5 |
| Catalog Number | AG01C2O4(AGN-PC-0BPL7A) |
| Chemical Name | 4-(Pyrazin-2-yl)benzonitrile |
| IUPAC Name | 4-pyrazin-2-ylbenzonitrile |
| InChI | InChI=1S/C11H7N3/c12-7-9-1-3-10(4-2-9)11-8-13-5-6-14-11/h1-6,8H |
| InChI Key | FRPTVBMFZHOJAC-UHFFFAOYSA-N |
| MDL Number | MFCD29487726 |
| Molecular Formula | C11H7N3 |
| Molecular Weight | 181.1934 |
| SMILES | N#CC1=CC=C(C2=NC=CN=C2)C=C1 |
| Synonyms | 4-(pyrazin-2-yl)benzonitrile,
143526-42-5,
4-(2-Pyrazinyl)benzonitrile,
ZINC81143229,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.198g/mol |
| Monoisotopic Mass | 181.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number