| CAS Number | 1094292-49-5 |
| Catalog Number | AG01BH0Z |
| Chemical Name | 1-(2,5-Difluorophenyl)-2-methylpropan-1-one |
| IUPAC Name | 1-(2,5-difluorophenyl)-2-methylpropan-1-one |
| InChI | InChI=1S/C10H10F2O/c1-6(2)10(13)8-5-7(11)3-4-9(8)12/h3-6H,1-2H3 |
| InChI Key | UJXOHSNBJKFWMT-UHFFFAOYSA-N |
| MDL Number | MFCD11205127 |
| Molecular Formula | C10H10F2O |
| Molecular Weight | 184.1826 |
| SMILES | CC(C(C1=C(F)C=CC(F)=C1)=O)C |
| Synonyms | 1-(2,5-difluorophenyl)-2-methylpropan-1-one,
1094292-49-5,
SCHEMBL12909549,
ZINC36156438,
AKOS009164369,
Z1973465750,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.186g/mol |
| Monoisotopic Mass | 184.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number