| CAS Number | 1099687-77-0 |
| Catalog Number | AG019WR1 |
| Chemical Name | 4-Bromo-2-(4-fluorophenoxy)benzoic acid |
| IUPAC Name | 4-bromo-2-(4-fluorophenoxy)benzoic acid |
| InChI | InChI=1S/C13H8BrFO3/c14-8-1-6-11(13(16)17)12(7-8)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17) |
| InChI Key | ZDIJUXHEYRHPOC-UHFFFAOYSA-N |
| MDL Number | MFCD11551615 |
| Molecular Formula | C13H8BrFO3 |
| Molecular Weight | 311.1032 |
| SMILES | OC(C1=C(OC2=CC=C(F)C=C2)C=C(Br)C=C1)=O |
| Synonyms | 4-bromo-2-(4-fluorophenoxy)benzoic acid,
1099687-77-0,
AC1Q72JP,
CTK7C0977,
ZINC36670595,
AKOS009394487,
MCULE-7693656719,
NE50824,
EN300-52872,
AB01004468-01,
Z802665940,
|
| 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 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number