| CAS Number | 1157136-76-9 |
| Catalog Number | AG01A4HO |
| Chemical Name | 1-(3,4-Difluorophenyl)-2-methoxyethan-1-one |
| IUPAC Name | 1-(3,4-difluorophenyl)-2-methoxyethanone |
| InChI | InChI=1S/C9H8F2O2/c1-13-5-9(12)6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3 |
| InChI Key | UPBQDEVAONCZME-UHFFFAOYSA-N |
| MDL Number | MFCD11555913 |
| Molecular Formula | C9H8F2O2 |
| Molecular Weight | 186.1554 |
| SMILES | COCC(C1=CC(F)=C(F)C=C1)=O |
| Synonyms | 1-(3,4-difluorophenyl)-2-methoxyethan-1-one,
1157136-76-9,
ZINC37346682,
AKOS009993195,
NE37592,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.158g/mol |
| Monoisotopic Mass | 186.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number