| CAS Number | 1076233-87-8 |
| Catalog Number | AG019QH2(AGN-PC-0WOEVG) |
| Chemical Name | (1S)-1-(4-Bromophenyl)-2-chloroethan-1-ol |
| IUPAC Name | (1S)-1-(4-bromophenyl)-2-chloroethanol |
| InChI | InChI=1S/C8H8BrClO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5H2/t8-/m1/s1 |
| InChI Key | NGBKYBZRHPFKQX-MRVPVSSYSA-N |
| MDL Number | MFCD09863570 |
| Molecular Formula | C8H8BrClO |
| Molecular Weight | 235.5055 |
| SMILES | BrC1=CC=C(C=C1)[C@@H](CCl)O |
| Synonyms | (1S)-1-(4-bromophenyl)-2-chloroethanol,
(1S)-1-(4-bromophenyl)-2-chloroethan-1-ol,
1076233-87-8,
(s)-1-(4-bromophenyl)-2-chloroethan-1-ol,
AC1Q59QA,
CTK6G5844,
ZINC12506173,
AKOS026730963,
(S)-1-(4-Bromophenyl)-2-chloroethanol,
AS-37385,
EN300-87668,
J-501769,
(AlphaS)-4-bromo-alpha-(chloromethyl)-benzenemethanol,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.505g/mol |
| Monoisotopic Mass | 233.945g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number