| CAS Number | 119776-15-7 |
| Catalog Number | AG01FR7B(AGN-PC-00IP0D) |
| Chemical Name | 1-(4-(Benzyloxy)-2-fluorophenyl)ethanone |
| IUPAC Name | 1-(2-fluoro-4-phenylmethoxyphenyl)ethanone |
| InChI | InChI=1S/C15H13FO2/c1-11(17)14-8-7-13(9-15(14)16)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3 |
| InChI Key | HWCVHUGKSVUQAK-UHFFFAOYSA-N |
| MDL Number | MFCD22479738 |
| Molecular Formula | C15H13FO2 |
| Molecular Weight | 244.2609 |
| SMILES | |
| Synonyms | 1-(4-(benzyloxy)-2-fluorophenyl)ethanone,
119776-15-7,
SCHEMBL1555449,
HWCVHUGKSVUQAK-UHFFFAOYSA-N,
ZINC116509389,
DA-14635,
1-(4-benzyloxy-2-fluoro-phenyl)-ethanone,
FT-0738715,
CID11955083,
1-(2-fluoro-4-phenylmethoxy-phenyl)ethanone,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.089958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.26g/mol |
| Monoisotopic Mass | 244.089958g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number