| CAS Number | 75380-94-8 |
| Catalog Number | AG00G2T6(AGN-PC-0U76N9) |
| Chemical Name | 4-(3-Fluorophenyl)-2-methyl-4-oxobutanoic acid |
| IUPAC Name | 4-(3-fluorophenyl)-2-methyl-4-oxobutanoic acid |
| InChI | InChI=1S/C11H11FO3/c1-7(11(14)15)5-10(13)8-3-2-4-9(12)6-8/h2-4,6-7H,5H2,1H3,(H,14,15) |
| InChI Key | CHYRXHBVBVPCLF-UHFFFAOYSA-N |
| MDL Number | MFCD04972256 |
| Molecular Formula | C11H11FO3 |
| Molecular Weight | 210.2016 |
| SMILES | CC(C(O)=O)CC(C1=CC(F)=CC=C1)=O |
| Synonyms | 75380-94-8,
2-Methyl-4-oxo-4-(3'-fluorophenyl)butyric acid,
4-(3-fluorophenyl)-2-methyl-4-oxobutanoic acid,
SCHEMBL7400747,
CHYRXHBVBVPCLF-UHFFFAOYSA-N,
MFCD04972256,
AKOS010910470,
MCULE-1983344016,
NE21357,
VZ24945,
3-(m-Fluorobenzoyl)-2-methylpropionic acid,
DB-021349,
FT-0641561,
Benzenebutanoic acid,3-fluoro-a-methyl-g-oxo-,
EN300-90621,
Z1263602350,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.204g/mol |
| Monoisotopic Mass | 210.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number