| CAS Number | 63416-61-5 |
| Catalog Number | AG00VSF4(AGN-PC-0NKEJ4) |
| Chemical Name | 4-(4-Fluorophenyl)butan-2-one |
| IUPAC Name | 4-(4-fluorophenyl)butan-2-one |
| InChI | InChI=1S/C10H11FO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,2-3H2,1H3 |
| InChI Key | WDALXIHTFDUFIR-UHFFFAOYSA-N |
| MDL Number | MFCD09891020 |
| Molecular Formula | C10H11FO |
| Molecular Weight | 166.1921 |
| SMILES | CC(=O)CCC1=CC=C(C=C1)F |
| Synonyms | 4-(4-fluorophenyl)butan-2-one,
63416-61-5,
2-Butanone, 4-(4-fluorophenyl)-,
AC1Q1K5E,
SCHEMBL409318,
4-(4-Fluorophenyl)-2-butanone,
CTK6A0179,
4-(4-Fluorophenyl)butane-2-one,
WDALXIHTFDUFIR-UHFFFAOYSA-N,
ZINC9280617,
AKOS000348625,
MCULE-4146230731,
NE26570,
EN300-51340,
Z1695783756,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.195g/mol |
| Monoisotopic Mass | 166.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number