| CAS Number | 1373500-30-1 |
| Catalog Number | AG009J5K |
| Chemical Name | 1-Ethynyl-2-fluoro-4-methoxybenzene |
| IUPAC Name | 1-ethynyl-2-fluoro-4-methoxybenzene |
| InChI | InChI=1S/C9H7FO/c1-3-7-4-5-8(11-2)6-9(7)10/h1,4-6H,2H3 |
| InChI Key | YCIYVDIUENRZIM-UHFFFAOYSA-N |
| MDL Number | MFCD27959270 |
| Molecular Formula | C9H7FO |
| Molecular Weight | 150.1497 |
| SMILES | C(#C)C1=C(C=C(C=C1)OC)F |
| Synonyms | 1-ethynyl-2-fluoro-4-methoxybenzene,
1373500-30-1,
SCHEMBL2720566,
ZINC143988248,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.152g/mol |
| Monoisotopic Mass | 150.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number