| CAS Number | 959139-99-2 |
| Catalog Number | AG00ITX6(AGN-PC-0WB2RO) |
| Chemical Name | 2-(2,6-Dichlorophenyl)-2-methylpropanenitrile |
| IUPAC Name | 2-(2,6-dichlorophenyl)-2-methylpropanenitrile |
| InChI | InChI=1S/C10H9Cl2N/c1-10(2,6-13)9-7(11)4-3-5-8(9)12/h3-5H,1-2H3 |
| InChI Key | YSAGSPMKRVAARL-UHFFFAOYSA-N |
| MDL Number | MFCD11036576 |
| Molecular Formula | C10H9Cl2N |
| Molecular Weight | 214.0912 |
| SMILES | CC(C1=C(Cl)C=CC=C1Cl)(C#N)C |
| Synonyms | 2-(2,6-dichlorophenyl)-2-methylpropanenitrile,
959139-99-2,
SCHEMBL779328,
KS-00002BEC,
YSAGSPMKRVAARL-UHFFFAOYSA-N,
ZINC37934385,
AKOS010213341,
FCH5849291,
SS-4835,
BBV-32229203,
OR310962,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.089g/mol |
| Monoisotopic Mass | 213.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number