| CAS Number | 210816-49-2 |
| Catalog Number | AG019GT8(AGN-PC-0KFTQJ) |
| Chemical Name | 1-[2,4-bis(difluoromethoxy)phenyl]ethan-1-one |
| IUPAC Name | 1-[2,4-bis(difluoromethoxy)phenyl]ethanone |
| InChI | InChI=1S/C10H8F4O3/c1-5(15)7-3-2-6(16-9(11)12)4-8(7)17-10(13)14/h2-4,9-10H,1H3 |
| InChI Key | PGPIQACNLBOEMR-UHFFFAOYSA-N |
| MDL Number | MFCD03147291 |
| Molecular Formula | C10H8F4O3 |
| Molecular Weight | 252.1623 |
| SMILES | CC(C1=C(OC(F)F)C=C(OC(F)F)C=C1)=O |
| Synonyms | 1-[2,4-bis(difluoromethoxy)phenyl]ethan-1-one,
210816-49-2,
1-(2,4-Bis-difluoromethoxy-phenyl)-ethanone,
AC1Q1JTO,
AC1M6E8M,
CTK8F2627,
ZINC3281088,
MFCD03147291,
AKOS000115377,
MCULE-1385207662,
NE27713,
1-[2,4-bis(difluoromethoxy)phenyl]ethanone,
EN300-01078,
Z55671953,
ZINC03281088,
CID2396546,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.165g/mol |
| Monoisotopic Mass | 252.041g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number