| CAS Number | 80854-24-6 |
| Catalog Number | AG01DWOG(AGN-PC-0UI0PP) |
| Chemical Name | 2-(3,4-Dichlorophenyl)-2-Methylpropanenitrile |
| IUPAC Name | 2-(3,4-dichlorophenyl)-2-methylpropanenitrile |
| InChI | InChI=1S/C10H9Cl2N/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5H,1-2H3 |
| InChI Key | YRQZPEHIUCAMMP-UHFFFAOYSA-N |
| MDL Number | MFCD11036580 |
| Molecular Formula | C10H9Cl2N |
| Molecular Weight | 214.0912 |
| SMILES | CC(C)(C1=CC=C(Cl)C(Cl)=C1)C#N |
| Synonyms | 2-(3,4-dichlorophenyl)-2-methylpropanenitrile,
80854-24-6,
SCHEMBL604108,
YRQZPEHIUCAMMP-UHFFFAOYSA-N,
AKOS010215162,
2-(3,4-dichlorophenyl)-2-methylpropionitrile,
|
| Complexity | 228 |
| 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 |
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Certificate of Analysis
Lot Number