| CAS Number | 55931-21-0 |
| Catalog Number | AG01A0BX(AGN-PC-0SJX8Q) |
| Chemical Name | 2-(2,6-Dichlorophenyl)-2-hydroxyacetonitrile |
| IUPAC Name | 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile |
| InChI | InChI=1S/C8H5Cl2NO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7,12H |
| InChI Key | PQZULIDMYBWYFO-UHFFFAOYSA-N |
| MDL Number | MFCD12169386 |
| Molecular Formula | C8H5Cl2NO |
| Molecular Weight | 202.0374 |
| SMILES | OC(C1=C(Cl)C=CC=C1Cl)C#N |
| Synonyms | 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile,
55931-21-0,
SCHEMBL8830248,
PQZULIDMYBWYFO-UHFFFAOYSA-N,
FCH097344,
NE33886,
Hydroxy(2,6-dichlorophenyl)acetonitrile,
BBV-21713284,
2,6-dichloro-alpha-hydroxybenzeneacetonitrile,
EN300-109473,
(+)-2,6-dichloro-alpha-hydroxybenzeneacetonitrile,
(+/-)-2,6-dichloro-alpha-hydroxybenzeneacetonitrile,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.034g/mol |
| Monoisotopic Mass | 200.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number