| CAS Number | 313366-70-0 |
| Catalog Number | AG00CLTD(AGN-PC-0WA6KB) |
| Chemical Name | 2-Cyano-4-(4-cyanophenyl)phenol |
| IUPAC Name | 5-(4-cyanophenyl)-2-hydroxybenzonitrile |
| InChI | InChI=1S/C14H8N2O/c15-8-10-1-3-11(4-2-10)12-5-6-14(17)13(7-12)9-16/h1-7,17H |
| InChI Key | HSXFHKWCOPMRIQ-UHFFFAOYSA-N |
| MDL Number | MFCD00982586 |
| Molecular Formula | C14H8N2O |
| Molecular Weight | 220.2261 |
| SMILES | N#Cc1ccc(cc1)c1ccc(c(c1)C#N)O |
| Synonyms | 2-CYANO-4-(4-CYANOPHENYL)PHENOL,
313366-70-0,
5-(4-cyanophenyl)-2-hydroxybenzonitrile,
AC1N9H9O,
DTXSID10402354,
ZINC1512261,
MFCD00982586,
K-7421,
ZINC01512261,
CID4360686,
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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 | 3.2 |
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Certificate of Analysis
Lot Number