| CAS Number | 1261991-91-6 |
| Catalog Number | AG009WZ9(AGN-PC-0WA88M) |
| Chemical Name | 3-Bromo-5-(4-carboxyphenyl)phenol |
| IUPAC Name | 4-(3-bromo-5-hydroxyphenyl)benzoic acid |
| InChI | InChI=1S/C13H9BrO3/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7,15H,(H,16,17) |
| InChI Key | GFLRKQGGLVBGNL-UHFFFAOYSA-N |
| MDL Number | MFCD18316077 |
| Molecular Formula | C13H9BrO3 |
| Molecular Weight | 293.1128 |
| SMILES | Oc1cc(Br)cc(c1)c1ccc(cc1)C(=O)O |
| Synonyms | 3-BROMO-5-(4-CARBOXYPHENYL)PHENOL,
1261991-91-6,
DTXSID40686403,
MFCD18316077,
ZINC65343828,
3'-Bromo-5'-hydroxy[1,1'-biphenyl]-4-carboxylic acid,
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| Complexity | 274 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.116g/mol |
| Monoisotopic Mass | 291.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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