| CAS Number | 1153104-44-9 |
| Catalog Number | AG01A6NG |
| Chemical Name | 3-fluoro-4-(2-methoxyethoxy)benzonitrile |
| IUPAC Name | 3-fluoro-4-(2-methoxyethoxy)benzonitrile |
| InChI | InChI=1S/C10H10FNO2/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6H,4-5H2,1H3 |
| InChI Key | CQPBGHVFFOEPSE-UHFFFAOYSA-N |
| MDL Number | MFCD12110240 |
| Molecular Formula | C10H10FNO2 |
| Molecular Weight | 195.1903 |
| SMILES | COCCOC1=C(F)C=C(C#N)C=C1 |
| Synonyms | 3-fluoro-4-(2-methoxyethoxy)benzonitrile,
1153104-44-9,
ZINC36886820,
AKOS009852891,
MCULE-6681093950,
NE15403,
BBV-27129994,
EN300-133653,
Z1446901651,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.193g/mol |
| Monoisotopic Mass | 195.07g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number