| CAS Number | 890934-10-8 |
| Catalog Number | AG00IFKS |
| Chemical Name | 1-(2-chloro-3,6-difluorophenyl)ethanone |
| IUPAC Name | 1-(2-chloro-3,6-difluorophenyl)ethanone |
| InChI | InChI=1S/C8H5ClF2O/c1-4(12)7-5(10)2-3-6(11)8(7)9/h2-3H,1H3 |
| InChI Key | MYERFUHABAVVAD-UHFFFAOYSA-N |
| MDL Number | MFCD26388572 |
| Molecular Formula | C8H5ClF2O |
| Molecular Weight | 190.5745 |
| SMILES | CC(C1=C(Cl)C(F)=CC=C1F)=O |
| Synonyms | 1-(2-chloro-3,6-difluorophenyl)ethanone,
890934-10-8,
1-(2-chloro-3,6-difluorophenyl)ethan-1-one,
SCHEMBL5805576,
MFCD26388572,
AKOS027338790,
ZINC201337211,
AS-35867,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.574g/mol |
| Monoisotopic Mass | 190g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number