| CAS Number | 7255-83-6 |
| Catalog Number | AG005R3U(AGN-PC-0JNQU9) |
| Chemical Name | 4,4'-biphenyldiacetonitrile |
| IUPAC Name | 2-[4-[4-(cyanomethyl)phenyl]phenyl]acetonitrile |
| InChI | InChI=1S/C16H12N2/c17-11-9-13-1-5-15(6-2-13)16-7-3-14(4-8-16)10-12-18/h1-8H,9-10H2 |
| InChI Key | GICPRLWIFVXEPU-UHFFFAOYSA-N |
| MDL Number | MFCD00051458 |
| Molecular Formula | C16H12N2 |
| Molecular Weight | 232.2799 |
| NSC Number | 74108 |
| SMILES | N#CCc1ccc(cc1)c1ccc(cc1)CC#N |
| Synonyms | 4,4'-Biphenyldiacetonitrile,
7255-83-6,
NSC74108,
AC1L5LSQ,
AC1Q4S3G,
2-[4-[4-(cyanomethyl)phenyl]phenyl]acetonitrile,
SCHEMBL196175,
Biphenyl-4,4'-bisacetonitrile,
CTK5D6473,
DTXSID00291214,
ZINC1699485,
NSC-74108,
AR-1F7745,
CID252356,
94161-15-6,
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| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.286g/mol |
| Monoisotopic Mass | 232.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number