| CAS Number | 54296-25-2 |
| Catalog Number | AG00DGFN(AGN-PC-001FBR) |
| Chemical Name | 4-CYANO-4'-N-PROPYL-P-TERPHENYL |
| IUPAC Name | 4-[4-(4-propylphenyl)phenyl]benzonitrile |
| InChI | InChI=1S/C22H19N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h4-15H,2-3H2,1H3 |
| InChI Key | PWZKBBQJWUEPOK-UHFFFAOYSA-N |
| MDL Number | MFCD00799422 |
| Molecular Formula | C22H19N |
| Molecular Weight | 297.3930 |
| SMILES | N#CC1=CC=C(C2=CC=C(C3=CC=C(CCC)C=C3)C=C2)C=C1 |
| Synonyms | 4-Cyano-4'-n-propyl-p-terphenyl,
54296-25-2,
4''-Propyl-[1,1':4',1''-terphenyl]-4-carbonitrile,
4-[4-(4-propylphenyl)phenyl]benzenecarbonitrile,
SCHEMBL10456965,
4-Cyano-4''-propyl-p-terphenyl,
ZINC2569893,
MFCD00799422,
SBB059230,
AKOS024389659,
MCULE-4080102686,
4-CYANO-4\'-N-PROPYL-P-TERPHENYL,
FT-0716600,
ST51044327,
4''-Propyl-4,1':4',1''-terbenzene-1-carbonitrile,
C3271,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.401g/mol |
| Monoisotopic Mass | 297.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number