| CAS Number | 1305324-34-8 |
| Catalog Number | AG01DV7T(AGN-PC-0WCWXD) |
| Chemical Name | 1-(2,3,6-Trifluorophenyl)propan-2-one |
| IUPAC Name | 1-(2,3,6-trifluorophenyl)propan-2-one |
| InChI | InChI=1S/C9H7F3O/c1-5(13)4-6-7(10)2-3-8(11)9(6)12/h2-3H,4H2,1H3 |
| InChI Key | FYLJYJAACVPMRM-UHFFFAOYSA-N |
| MDL Number | MFCD11553528 |
| Molecular Formula | C9H7F3O |
| Molecular Weight | 188.1465 |
| SMILES | CC(CC1=C(F)C(F)=CC=C1F)=O |
| Synonyms | 1-(2,3,6-trifluorophenyl)propan-2-one,
1305324-34-8,
2-Propanone, 1-(2,3,6-trifluorophenyl)-,
SCHEMBL15271468,
FYLJYJAACVPMRM-UHFFFAOYSA-N,
ZINC43502167,
AKOS006324341,
AK319401,
1-(2,3,6-Trifluoro-phenyl)-propan-2-one,
A1-04135,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.149g/mol |
| Monoisotopic Mass | 188.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number