| CAS Number | 1261949-21-6 |
| Catalog Number | AG009X0V(AGN-PC-0WA8JT) |
| Chemical Name | 3-Cyano-5-(4-cyanophenyl)phenol |
| IUPAC Name | 3-(4-cyanophenyl)-5-hydroxybenzonitrile |
| InChI | InChI=1S/C14H8N2O/c15-8-10-1-3-12(4-2-10)13-5-11(9-16)6-14(17)7-13/h1-7,17H |
| InChI Key | DIJDJBUVDVMXFR-UHFFFAOYSA-N |
| MDL Number | MFCD18314170 |
| Molecular Formula | C14H8N2O |
| Molecular Weight | 220.2261 |
| SMILES | N#Cc1ccc(cc1)c1cc(O)cc(c1)C#N |
| Synonyms | 3-CYANO-5-(4-CYANOPHENYL)PHENOL,
1261949-21-6,
5-Hydroxy-[1,1'-biphenyl]-3,4'-dicarbonitrile,
DTXSID70684639,
MFCD18314170,
ZINC65341306,
5-Hydroxy[1,1'-biphenyl]-3,4'-dicarbonitrile,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.231g/mol |
| Monoisotopic Mass | 220.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number