| CAS Number | 1179176-22-7 |
| Catalog Number | AG01A1R2 |
| Chemical Name | 1-chloro-2-(3-chloroprop-1-yn-1-yl)benzene |
| IUPAC Name | 1-chloro-2-(3-chloroprop-1-ynyl)benzene |
| InChI | InChI=1S/C9H6Cl2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,7H2 |
| InChI Key | VYOPEAVPTIVEDT-UHFFFAOYSA-N |
| MDL Number | MFCD12824549 |
| Molecular Formula | C9H6Cl2 |
| Molecular Weight | 185.0499 |
| SMILES | ClCC#CC1=C(Cl)C=CC=C1 |
| Synonyms | 1-chloro-2-(3-chloroprop-1-yn-1-yl)benzene,
1179176-22-7,
ZINC58076315,
NE43855,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.047g/mol |
| Monoisotopic Mass | 183.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number