| CAS Number | 1156865-40-5 |
| Catalog Number | AG01AHIZ |
| Chemical Name | 1-[4-(4-bromophenoxy)phenyl]ethan-1-ol |
| IUPAC Name | 1-[4-(4-bromophenoxy)phenyl]ethanol |
| InChI | InChI=1S/C14H13BrO2/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-10,16H,1H3 |
| InChI Key | SFJUQOXPLWPNJH-UHFFFAOYSA-N |
| MDL Number | MFCD12422596 |
| Molecular Formula | C14H13BrO2 |
| Molecular Weight | 293.1558 |
| SMILES | CC(C1=CC=C(OC2=CC=C(Br)C=C2)C=C1)O |
| Synonyms | 1-[4-(4-bromophenoxy)phenyl]ethan-1-ol,
1156865-40-5,
AKOS005841916,
MCULE-1063838864,
NE20491,
EN300-74893,
Z1245793003,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.16g/mol |
| Monoisotopic Mass | 292.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number