| CAS Number | 1156079-46-7 |
| Catalog Number | AG01BF6X |
| Chemical Name | 3-Fluoro-4-ethoxybenzonitrile |
| IUPAC Name | 4-ethoxy-3-fluorobenzonitrile |
| InChI | InChI=1S/C9H8FNO/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-5H,2H2,1H3 |
| InChI Key | KLPLJKKEZVSCEJ-UHFFFAOYSA-N |
| MDL Number | MFCD12110223 |
| Molecular Formula | C9H8FNO |
| Molecular Weight | 165.1643 |
| SMILES | CCOC1=C(F)C=C(C#N)C=C1 |
| Synonyms | 4-ethoxy-3-fluorobenzonitrile,
3-Fluoro-4-ethoxybenzonitrile,
1156079-46-7,
SCHEMBL4727931,
DTXSID40656267,
STL453445,
ZINC36886782,
AKOS009851590,
NE24611,
Z1446900057,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.167g/mol |
| Monoisotopic Mass | 165.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number