| CAS Number | 32193-98-9 |
| Catalog Number | AG00I63U(AGN-PC-02MG96) |
| Chemical Name | 4-Cyanomethyl-4'-fluorobiphenyl |
| IUPAC Name | 2-[4-(4-fluorophenyl)phenyl]acetonitrile |
| InChI | InChI=1S/C14H10FN/c15-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-10-16/h1-8H,9H2 |
| InChI Key | UYVRVRSTVWIIAE-UHFFFAOYSA-N |
| MDL Number | MFCD06802160 |
| Molecular Formula | C14H10FN |
| Molecular Weight | 211.2343 |
| SMILES | N#CCC1=CC=C(C=C1)C1C=CC(=CC=1)F |
| Synonyms | 32193-98-9,
4-Cyanomethyl-4'-fluorobiphenyl,
(4'-Fluoro[1,1'-biphenyl]-4-yl)acetonitrile,
SCHEMBL2773349,
UYVRVRSTVWIIAE-UHFFFAOYSA-N,
ZINC16946557,
AKOS004116609,
BB 0223208,
(4'-fluoro-1,1'-biphenyl-4-yl)acetonitrile,
[1,1'-Biphenyl]-4-acetonitrile, 4'-fluoro-,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.239g/mol |
| Monoisotopic Mass | 211.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number