| CAS Number | 1020999-94-3 |
| Catalog Number | AG019WM8 |
| Chemical Name | 4-(4-Bromophenoxy)-3-fluorobenzoic acid |
| IUPAC Name | 4-(4-bromophenoxy)-3-fluorobenzoic acid |
| InChI | InChI=1S/C13H8BrFO3/c14-9-2-4-10(5-3-9)18-12-6-1-8(13(16)17)7-11(12)15/h1-7H,(H,16,17) |
| InChI Key | VQKWHIRWRKGTBD-UHFFFAOYSA-N |
| MDL Number | MFCD11529204 |
| Molecular Formula | C13H8BrFO3 |
| Molecular Weight | 311.1032 |
| SMILES | OC(C1=CC(F)=C(OC2=CC=C(Br)C=C2)C=C1)=O |
| Synonyms | 4-(4-bromophenoxy)-3-fluorobenzoic acid,
1020999-94-3,
CTK5I7617,
AC1Q7312,
ZINC20080714,
AKOS000264560,
MCULE-6733665880,
NE15189,
EN300-52381,
AB01004599-01,
Z802671582,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.106g/mol |
| Monoisotopic Mass | 309.964g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number