| CAS Number | 20498-64-0 |
| Catalog Number | AG01AA5V |
| Chemical Name | 1-(4-Bromophenyl)-2-phenylethan-1-ol |
| IUPAC Name | 1-(4-bromophenyl)-2-phenylethanol |
| InChI | InChI=1S/C14H13BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,14,16H,10H2 |
| InChI Key | JYLIIPKJJWWRMG-UHFFFAOYSA-N |
| MDL Number | MFCD12153464 |
| Molecular Formula | C14H13BrO |
| Molecular Weight | 277.1564 |
| SMILES | OC(C1=CC=C(Br)C=C1)CC1=CC=CC=C1 |
| Synonyms | 1-(4-bromophenyl)-2-phenylethan-1-ol,
20498-64-0,
AC1Q779Z,
SCHEMBL3398678,
AKOS010015775,
MCULE-6362073261,
NE38084,
EN300-67152,
Z1258943255,
1-(4-bromophenyl)-2-phenyl-ethanol,
CID10858776,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.161g/mol |
| Monoisotopic Mass | 276.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number