| CAS Number | 1250157-06-2 |
| Catalog Number | AG019TQC |
| Chemical Name | 1-[5-Chloro-2-(difluoromethoxy)phenyl]ethan-1-one |
| IUPAC Name | 1-[5-chloro-2-(difluoromethoxy)phenyl]ethanone |
| InChI | InChI=1S/C9H7ClF2O2/c1-5(13)7-4-6(10)2-3-8(7)14-9(11)12/h2-4,9H,1H3 |
| InChI Key | BPMUCEHKIZKHPU-UHFFFAOYSA-N |
| MDL Number | MFCD16661431 |
| Molecular Formula | C9H7ClF2O2 |
| Molecular Weight | 220.6005 |
| SMILES | CC(C1=CC(Cl)=CC=C1OC(F)F)=O |
| Synonyms | 1-[5-chloro-2-(difluoromethoxy)phenyl]ethan-1-one,
1250157-06-2,
SCHEMBL17282266,
ZINC47980194,
AKOS008962262,
MCULE-1266754579,
NE16039,
Z55672002,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.6g/mol |
| Monoisotopic Mass | 220.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number