| CAS Number | 1029714-95-1 |
| Catalog Number | AG0091Q4 |
| Chemical Name | 4-Acetyl-2-fluorobenzoic acid |
| IUPAC Name | 4-acetyl-2-fluorobenzoic acid |
| InChI | InChI=1S/C9H7FO3/c1-5(11)6-2-3-7(9(12)13)8(10)4-6/h2-4H,1H3,(H,12,13) |
| InChI Key | VLZOECVDUSVHBH-UHFFFAOYSA-N |
| MDL Number | MFCD20660015 |
| Molecular Formula | C9H7FO3 |
| Molecular Weight | 182.1485 |
| SMILES | CC(C1=CC(F)=C(C(O)=O)C=C1)=O |
| Synonyms | 4-acetyl-2-fluorobenzoic acid,
1029714-95-1,
SCHEMBL1951639,
VLZOECVDUSVHBH-UHFFFAOYSA-N,
MFCD20660015,
ZINC95218294,
AKOS033476494,
NE31941,
AS-48684,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.15g/mol |
| Monoisotopic Mass | 182.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number