| CAS Number | 1183090-50-7 |
| Catalog Number | AG019PTS |
| Chemical Name | 3-Fluoro-4-(2-hydroxyphenoxy)benzonitrile |
| IUPAC Name | 3-fluoro-4-(2-hydroxyphenoxy)benzonitrile |
| InChI | InChI=1S/C13H8FNO2/c14-10-7-9(8-15)5-6-12(10)17-13-4-2-1-3-11(13)16/h1-7,16H |
| InChI Key | OCEOHJLRTQYDSB-UHFFFAOYSA-N |
| MDL Number | MFCD13159453 |
| Molecular Formula | C13H8FNO2 |
| Molecular Weight | 229.2065 |
| SMILES | OC1=C(OC2=C(F)C=C(C#N)C=C2)C=CC=C1 |
| Synonyms | 3-fluoro-4-(2-hydroxyphenoxy)benzonitrile,
CHEMBL2398663,
1183090-50-7,
EN300-86494,
BDBM50436717,
ZINC37674619,
AKOS008140975,
IMED600497837,
MCULE-6163042563,
NE41163,
Z1259159886,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.21g/mol |
| Monoisotopic Mass | 229.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number