| CAS Number | 1021245-85-1 |
| Catalog Number | AG019VIC |
| Chemical Name | 2-(3-Bromophenoxy)benzoic acid |
| IUPAC Name | 2-(3-bromophenoxy)benzoic acid |
| InChI | InChI=1S/C13H9BrO3/c14-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(15)16/h1-8H,(H,15,16) |
| InChI Key | QSUCZMCOVPCEKA-UHFFFAOYSA-N |
| MDL Number | MFCD11156621 |
| Molecular Formula | C13H9BrO3 |
| Molecular Weight | 293.1128 |
| SMILES | OC(C1=C(OC2=CC(Br)=CC=C2)C=CC=C1)=O |
| Synonyms | 2-(3-bromophenoxy)benzoic acid,
1021245-85-1,
AC1Q72JM,
CTK5I8559,
ZINC20080764,
AKOS000264221,
MCULE-5940941886,
NE15018,
EN300-45315,
|
| Complexity | 269 |
| 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 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number