| CAS Number | 1261978-55-5 |
| Catalog Number | AG00HPE7(AGN-PC-0WNPOR) |
| Chemical Name | 4-(3-Cyanophenyl)-2-fluorophenol |
| IUPAC Name | 3-(3-fluoro-4-hydroxyphenyl)benzonitrile |
| InChI | InChI=1S/C13H8FNO/c14-12-7-11(4-5-13(12)16)10-3-1-2-9(6-10)8-15/h1-7,16H |
| InChI Key | PTNAUPLYUSSPKH-UHFFFAOYSA-N |
| MDL Number | MFCD18313562 |
| Molecular Formula | C13H8FNO |
| Molecular Weight | 213.2071 |
| SMILES | N#Cc1cccc(c1)c1ccc(c(c1)F)O |
| Synonyms | 4-(3-CYANOPHENYL)-2-FLUOROPHENOL,
1261978-55-5,
DTXSID60684103,
MFCD18313562,
ZINC65340706,
AKOS017557635,
3'-Fluoro-4'-hydroxy[1,1'-biphenyl]-3-carbonitrile,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.211g/mol |
| Monoisotopic Mass | 213.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number