| CAS Number | 99567-74-5 |
| Catalog Number | AG01BVEM(AGN-PC-0W9JYZ) |
| Chemical Name | 3,5-dichlorobenzoyl cyanide |
| IUPAC Name | 3,5-dichlorobenzoyl cyanide |
| InChI | InChI=1S/C8H3Cl2NO/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3H |
| InChI Key | HQMFFHQHAQDOHZ-UHFFFAOYSA-N |
| MDL Number | MFCD30658338 |
| Molecular Formula | C8H3Cl2NO |
| Molecular Weight | 200.0215 |
| SMILES | ClC1=CC(C(C#N)=O)=CC(Cl)=C1 |
| Synonyms | 3,5-dichlorobenzoyl cyanide,
99567-74-5,
SCHEMBL10923792,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.018g/mol |
| Monoisotopic Mass | 198.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number