| CAS Number | 178460-80-5 |
| Catalog Number | AG019QH0(AGN-PC-0QBCLL) |
| Chemical Name | Benzenemethanol, 4-chloro-a-(chloromethyl)-, (aR)- |
| IUPAC Name | (1R)-2-chloro-1-(4-chlorophenyl)ethanol |
| InChI | InChI=1S/C8H8Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2/t8-/m0/s1 |
| InChI Key | FMVSIWSINRIEKZ-QMMMGPOBSA-N |
| MDL Number | MFCD09863568 |
| Molecular Formula | C8H8Cl2O |
| Molecular Weight | 191.0545 |
| SMILES | c1cc(ccc1[C@H](CCl)O)Cl |
| Synonyms | (1R)-2-chloro-1-(4-chlorophenyl)ethan-1-ol,
178460-80-5,
(1R)-2-chloro-1-(4-chlorophenyl)ethanol,
SCHEMBL2306502,
CTK6G5820,
ZINC6093250,
NE49111,
(R)-1-(4-Chlorophenyl)-2-chloroethanol,
EN300-87666,
Benzenemethanol, 4-chloro-a-(chloromethyl)-, (aR)-,
AC1Q59FV,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.99522g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.05g/mol |
| Monoisotopic Mass | 189.99522g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number