| CAS Number | 415679-40-2 |
| Catalog Number | AG019WPM(AGN-PC-0RQMAA) |
| Chemical Name | (1R)-1-(2,4-Dichlorophenyl)ethan-1-ol |
| IUPAC Name | (1R)-1-(2,4-dichlorophenyl)ethanol |
| InChI | InChI=1S/C8H8Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3/t5-/m1/s1 |
| InChI Key | KWZDYNBHZMQRLS-RXMQYKEDSA-N |
| MDL Number | MFCD09863676 |
| Molecular Formula | C8H8Cl2O |
| Molecular Weight | 191.0545 |
| SMILES | C[C@H](C1=C(C=C(C=C1)Cl)Cl)O |
| Synonyms | (1R)-1-(2,4-dichlorophenyl)ethan-1-ol,
(1R)-1-(2,4-dichlorophenyl)ethanol,
(R)-1-(2,4-dichlorophenyl)ethanol,
415679-40-2,
AC1OCUDL,
AC1Q29BD,
SCHEMBL14992635,
CTK6G7779,
KWZDYNBHZMQRLS-RXMQYKEDSA-N,
ZINC394859,
NE36389,
CJ-03642,
ZB012460,
EN300-52748,
UNII-D44O14048Q component KWZDYNBHZMQRLS-RXMQYKEDSA-N,
CID6950773,
Diethyl 2-chloro-2-phenylvinylphosphonate,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.051g/mol |
| Monoisotopic Mass | 189.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number