| CAS Number | 1153105-40-8 |
| Catalog Number | AG019QXW |
| Chemical Name | 3-Fluoro-4-(2-fluorophenoxy)benzonitrile |
| IUPAC Name | 3-fluoro-4-(2-fluorophenoxy)benzonitrile |
| InChI | InChI=1S/C13H7F2NO/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7H |
| InChI Key | KRNLPBLXHDMAKU-UHFFFAOYSA-N |
| MDL Number | MFCD12110249 |
| Molecular Formula | C13H7F2NO |
| Molecular Weight | 231.1976 |
| SMILES | FC1=C(OC2=C(F)C=C(C#N)C=C2)C=CC=C1 |
| Synonyms | 3-fluoro-4-(2-fluorophenoxy)benzonitrile,
1153105-40-8,
EN300-88596,
ZINC36886845,
AKOS009851413,
MCULE-5182090141,
NE19059,
ABA-1051969,
Z1263811598,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.202g/mol |
| Monoisotopic Mass | 231.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number