| CAS Number | 17100-75-3 |
| Catalog Number | AG00784W(AGN-PC-0O4U61) |
| Chemical Name | 2,4-Hexadiene, 1-chloro-, (2E,4E)- |
| IUPAC Name | 1-chlorohexa-2,4-diene |
| InChI | InChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h2-5H,6H2,1H3 |
| InChI Key | OGAKEJHVQRBQLA-UHFFFAOYSA-N |
| Molecular Formula | C6H9Cl |
| Molecular Weight | 116.5887 |
| SMILES | CC=CC=CCCl |
| Synonyms | 2,4-Hexadiene, 1-chloro-,
2,4-Hexadiene, 1-chloro-, (2E,4E)-,
CTK0A8098,
CTK1B7567,
OGAKEJHVQRBQLA-UHFFFAOYSA-N,
17100-75-3,
1-Chloro-2,4-hexadiene,
2,4-Hexadiene,1-chloro-,
34632-89-8,
|
| Complexity | 72.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.588g/mol |
| Monoisotopic Mass | 116.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number