| CAS Number | 1461715-65-0 |
| Catalog Number | AG01A6L3 |
| Chemical Name | 4-(3-chloro-4-fluorophenoxy)benzonitrile |
| IUPAC Name | 4-(3-chloro-4-fluorophenoxy)benzonitrile |
| InChI | InChI=1S/C13H7ClFNO/c14-12-7-11(5-6-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-7H |
| InChI Key | AJNPYPSQCNHRGG-UHFFFAOYSA-N |
| MDL Number | MFCD18919960 |
| Molecular Formula | C13H7ClFNO |
| Molecular Weight | 247.6522 |
| SMILES | FC1=C(Cl)C=C(OC2=CC=C(C#N)C=C2)C=C1 |
| Synonyms | 4-(3-chloro-4-fluorophenoxy)benzonitrile,
1461715-65-0,
ZINC70168560,
AKOS009086953,
MCULE-1884955416,
NE50532,
SEL10921372,
EN300-133314,
Z168803118,
|
| 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 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number