| CAS Number | 6575-02-6 |
| Catalog Number | AG00FD8V(AGN-PC-02K9WX) |
| Chemical Name | 2,3,5-Trichlorobenzonitrile |
| IUPAC Name | 2,3,5-trichlorobenzonitrile |
| InChI | InChI=1S/C7H2Cl3N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H |
| InChI Key | MMDWDMLGGFMMCQ-UHFFFAOYSA-N |
| MDL Number | MFCD11846073 |
| Molecular Formula | C7H2Cl3N |
| Molecular Weight | 206.4565 |
| SMILES | C(#N)C1=CC(Cl)=CC(Cl)=C1Cl |
| Synonyms | 2,3,5-Trichlorobenzonitrile,
6575-02-6,
Benzonitrile, 2,3,5-trichloro-,
SCHEMBL3077861,
CTK1I1892,
DTXSID80600067,
MMDWDMLGGFMMCQ-UHFFFAOYSA-N,
ZINC36532915,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.45g/mol |
| Monoisotopic Mass | 204.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number