| CAS Number | 1184162-02-4 |
| Catalog Number | AG01DYGS |
| Chemical Name | 1,2-dichloro-3-(3-chloroprop-1-yn-1-yl)benzene |
| IUPAC Name | 1,2-dichloro-3-(3-chloroprop-1-ynyl)benzene |
| InChI | InChI=1S/C9H5Cl3/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1,3,5H,6H2 |
| InChI Key | TVLIWLDLWQLHJA-UHFFFAOYSA-N |
| MDL Number | MFCD12155683 |
| Molecular Formula | C9H5Cl3 |
| Molecular Weight | 219.495 |
| SMILES | ClCC#CC1=C(Cl)C(Cl)=CC=C1 |
| Synonyms | 1,2-dichloro-3-(3-chloroprop-1-yn-1-yl)benzene,
1184162-02-4,
AKOS010017383,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.489g/mol |
| Monoisotopic Mass | 217.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number