| CAS Number | 98545-58-5 |
| Catalog Number | AG019X4U |
| Chemical Name | 2-(2-bromo-4-chlorophenoxy)ethan-1-ol |
| IUPAC Name | 2-(2-bromo-4-chlorophenoxy)ethanol |
| InChI | InChI=1S/C8H8BrClO2/c9-7-5-6(10)1-2-8(7)12-4-3-11/h1-2,5,11H,3-4H2 |
| InChI Key | RDOPLZSKRFLESC-UHFFFAOYSA-N |
| MDL Number | MFCD02066394 |
| Molecular Formula | C8H8BrClO2 |
| Molecular Weight | 251.5049 |
| SMILES | OCCOC1=C(Br)C=C(Cl)C=C1 |
| Synonyms | 2-(2-bromo-4-chlorophenoxy)ethan-1-ol,
98545-58-5,
AC1MW3BA,
AC1Q7D7U,
CTK8A5542,
ZINC5943838,
2-(2-bromo-4-chlorophenoxy)ethanol,
AKOS008037630,
MCULE-2868747385,
NE25101,
ST036803,
EN300-54050,
Z74088094,
ZINC05943838,
CID3742841,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.504g/mol |
| Monoisotopic Mass | 249.94g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number