| CAS Number | 101933-88-4 |
| Catalog Number | AG01CCJR(AGN-PC-0WALOF) |
| Chemical Name | 2-Chloro-1,5-hexadiene |
| IUPAC Name | 2-chlorohexa-1,5-diene |
| InChI | InChI=1S/C6H9Cl/c1-3-4-5-6(2)7/h3H,1-2,4-5H2 |
| InChI Key | MBBJLMQTIJDBCM-UHFFFAOYSA-N |
| MDL Number | MFCD32743584 |
| Molecular Formula | C6H9Cl |
| Molecular Weight | 116.5887 |
| SMILES | ClC(CCC=C)=C |
| Synonyms | 2-Chloro-1,5-hexadiene,
101933-88-4,
SCHEMBL8278786,
AKOS028113586,
|
| Complexity | 74.2 |
| 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 | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number