| CAS Number | 4350-54-3 |
| Catalog Number | AG00DAEO(AGN-PC-0L5WXM) |
| Chemical Name | 3-(Pyridin-3-yl)benzonitrile |
| IUPAC Name | 3-pyridin-3-ylbenzonitrile |
| InChI | InChI=1S/C12H8N2/c13-8-10-3-1-4-11(7-10)12-5-2-6-14-9-12/h1-7,9H |
| InChI Key | OUKWFZFXMLQJGL-UHFFFAOYSA-N |
| MDL Number | MFCD06801828 |
| Molecular Formula | C12H8N2 |
| Molecular Weight | 180.2053 |
| SMILES | N#CC1=CC(C2=CN=CC=C2)=CC=C1 |
| Synonyms | 3-(Pyridin-3-yl)benzonitrile,
4350-54-3,
3-(3-pyridinyl)benzonitrile,
3-Pyridin-3-yl-benzonitrile,
3-pyridin-3-ylbenzonitrile,
AC1N4RAC,
3-(3-pyridinyl )benzonitrile,
3-(pyridine-3-yl)benzonitrile,
SCHEMBL13537172,
CTK7C8445,
ZINC6756499,
AKOS004114093,
NE54523,
AJ-56834,
BB 0222749,
CID4133298,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.21g/mol |
| Monoisotopic Mass | 180.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number