| CAS Number | 99585-01-0 |
| Catalog Number | AG01A46V |
| Chemical Name | 5-Chlorohexanoyl chloride |
| IUPAC Name | 5-chlorohexanoyl chloride |
| InChI | InChI=1S/C6H10Cl2O/c1-5(7)3-2-4-6(8)9/h5H,2-4H2,1H3 |
| InChI Key | XOMSOSIRNGNUSH-UHFFFAOYSA-N |
| MDL Number | MFCD20623759 |
| Molecular Formula | C6H10Cl2O |
| Molecular Weight | 169.0490 |
| SMILES | CC(Cl)CCCC(Cl)=O |
| Synonyms | 5-chlorohexanoyl chloride,
99585-01-0,
5-?Chloro-hexanoyl Chloride,
SCHEMBL11268628,
AKOS026728825,
NE49041,
F8889-6486,
5-Chloro-hexanoyl Chloride,
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| Complexity | 93.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.045g/mol |
| Monoisotopic Mass | 168.011g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number