| CAS Number | 1255708-29-2 |
| Catalog Number | AG019ZPX |
| Chemical Name | 1-[2-(dimethylamino)-4-fluorophenyl]ethan-1-one |
| IUPAC Name | 1-[2-(dimethylamino)-4-fluorophenyl]ethanone |
| InChI | InChI=1S/C10H12FNO/c1-7(13)9-5-4-8(11)6-10(9)12(2)3/h4-6H,1-3H3 |
| InChI Key | ZPSFNOWYGDIUBE-UHFFFAOYSA-N |
| MDL Number | MFCD19980529 |
| Molecular Formula | C10H12FNO |
| Molecular Weight | 181.2068 |
| SMILES | CN(C1=C(C(C)=O)C=CC(F)=C1)C |
| Synonyms | 1-[2-(dimethylamino)-4-fluorophenyl]ethan-1-one,
1255708-29-2,
ZINC75772108,
AKOS033323369,
MCULE-5415651762,
NE32395,
RP24246,
Z1416200878,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.21g/mol |
| Monoisotopic Mass | 181.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number