| CAS Number | 54589-52-5 |
| Catalog Number | AG01AG5C |
| Chemical Name | 4-[(4-Bromophenyl)methoxy]phenol |
| IUPAC Name | 4-[(4-bromophenyl)methoxy]phenol |
| InChI | InChI=1S/C13H11BrO2/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,15H,9H2 |
| InChI Key | WNKLXCIAQUVCHA-UHFFFAOYSA-N |
| MDL Number | MFCD11181705 |
| Molecular Formula | C13H11BrO2 |
| Molecular Weight | 279.1292 |
| SMILES | OC1=CC=C(OCC2=CC=C(Br)C=C2)C=C1 |
| Synonyms | 4-[(4-bromophenyl)methoxy]phenol,
54589-52-5,
4-(4-Bromobenzyloxy)phenol,
SCHEMBL3618116,
ZINC36896690,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.133g/mol |
| Monoisotopic Mass | 277.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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