| CAS Number | 1410890-97-9 |
| Catalog Number | AG01A6HC |
| Chemical Name | 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzonitrile |
| IUPAC Name | 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzonitrile |
| InChI | InChI=1S/C13H6ClF2NO/c14-10-6-9(2-3-11(10)15)18-13-4-1-8(7-17)5-12(13)16/h1-6H |
| InChI Key | OHPWZZGPCCYNLY-UHFFFAOYSA-N |
| MDL Number | MFCD19018400 |
| Molecular Formula | C13H6ClF2NO |
| Molecular Weight | 265.6426 |
| SMILES | FC1=C(Cl)C=C(OC2=C(F)C=C(C#N)C=C2)C=C1 |
| Synonyms | 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzonitrile,
1410890-97-9,
ZINC75914475,
AKOS013193354,
NE43559,
SEL10922175,
EN300-132873,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.644g/mol |
| Monoisotopic Mass | 265.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number