| CAS Number | 347173-46-0 |
| Catalog Number | AG01AHDR |
| Chemical Name | 4-(3-Bromophenoxy)benzoic acid |
| IUPAC Name | 4-(3-bromophenoxy)benzoic acid |
| InChI | InChI=1S/C13H9BrO3/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8H,(H,15,16) |
| InChI Key | KYUINITWNQUXBN-UHFFFAOYSA-N |
| MDL Number | MFCD11156620 |
| Molecular Formula | C13H9BrO3 |
| Molecular Weight | 293.1128 |
| SMILES | OC(C1=CC=C(OC2=CC(Br)=CC=C2)C=C1)=O |
| Synonyms | 4-(3-bromophenoxy)benzoic acid,
347173-46-0,
SCHEMBL5519221,
KYUINITWNQUXBN-UHFFFAOYSA-N,
ZINC20080756,
AKOS000264172,
MCULE-9161123823,
NE30524,
EN300-74396,
A1-02663,
Z1259335841,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.116g/mol |
| Monoisotopic Mass | 291.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number