| CAS Number | 186196-04-3 |
| Catalog Number | AG019W2X(AGN-PC-0QF6FR) |
| Chemical Name | 2-(2,6-Dichlorophenyl)-3-oxobutanenitrile |
| IUPAC Name | 2-(2,6-dichlorophenyl)-3-oxobutanenitrile |
| InChI | InChI=1S/C10H7Cl2NO/c1-6(14)7(5-13)10-8(11)3-2-4-9(10)12/h2-4,7H,1H3 |
| InChI Key | HZFPWBVJYDZQSF-UHFFFAOYSA-N |
| MDL Number | MFCD11208554 |
| Molecular Formula | C10H7Cl2NO |
| Molecular Weight | 228.0747 |
| SMILES | CC(C(C1=C(Cl)C=CC=C1Cl)C#N)=O |
| Synonyms | 2-(2,6-dichlorophenyl)-3-oxobutanenitrile,
186196-04-3,
EN300-50316,
AC1Q1J9Z,
CTK7C5000,
FCH079059,
AKOS009334491,
MCULE-5414831459,
NE34424,
BBV-29355078,
Benzeneacetonitrile, a-acetyl-2,6-dichloro-,
Z607822526,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.072g/mol |
| Monoisotopic Mass | 226.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number