| CAS Number | 1179602-83-5 |
| Catalog Number | AG01AATP |
| Chemical Name | 1-(3-Fluorophenyl)-4-methoxybutan-2-one |
| IUPAC Name | 1-(3-fluorophenyl)-4-methoxybutan-2-one |
| InChI | InChI=1S/C11H13FO2/c1-14-6-5-11(13)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3 |
| InChI Key | HXUOMIWYIWRVPC-UHFFFAOYSA-N |
| MDL Number | MFCD12782093 |
| Molecular Formula | C11H13FO2 |
| Molecular Weight | 196.2181 |
| SMILES | COCCC(CC1=CC(F)=CC=C1)=O |
| Synonyms | 1-(3-fluorophenyl)-4-methoxybutan-2-one,
1179602-83-5,
AC1Q4FMA,
ZINC38125367,
AKOS008142783,
MCULE-4508701049,
NE24429,
EN300-69538,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.221g/mol |
| Monoisotopic Mass | 196.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number