| CAS Number | 1153105-44-2 |
| Catalog Number | AG01A23P |
| Chemical Name | 4-(4-Chlorophenoxy)-3-fluorobenzonitrile |
| IUPAC Name | 4-(4-chlorophenoxy)-3-fluorobenzonitrile |
| InChI | InChI=1S/C13H7ClFNO/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-16)7-12(13)15/h1-7H |
| InChI Key | SAVHBKZESJHQDD-UHFFFAOYSA-N |
| MDL Number | MFCD12110251 |
| Molecular Formula | C13H7ClFNO |
| Molecular Weight | 247.6522 |
| SMILES | N#CC1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1 |
| Synonyms | 4-(4-chlorophenoxy)-3-fluorobenzonitrile,
1153105-44-2,
ZINC36886847,
AKOS009851593,
MCULE-1363777138,
NE61696,
ABA-1051971,
EN300-115953,
Z1443585883,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.653g/mol |
| Monoisotopic Mass | 247.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number