| CAS Number | 61413-70-5 |
| Catalog Number | AG01DUD8(AGN-PC-0JSC5Y) |
| Chemical Name | Octanoic acid, chloromethyl ester |
| IUPAC Name | chloromethyl octanoate |
| InChI | InChI=1S/C9H17ClO2/c1-2-3-4-5-6-7-9(11)12-8-10/h2-8H2,1H3 |
| InChI Key | JRCUJOMLYAQHDP-UHFFFAOYSA-N |
| MDL Number | MFCD18431376 |
| Molecular Formula | C9H17ClO2 |
| Molecular Weight | 192.6831 |
| SMILES | CCCCCCCC(=O)OCCl |
| Synonyms | Chloromethyl octanoate,
Octanoic acid, chloromethyl ester,
chloromethyl n-octanoate,
61413-70-5,
JRCUJOMLYAQHDP-UHFFFAOYSA-N,
chloromethyl caprylate,
octanoyloxymethyl chloride,
AC1LB0GA,
SCHEMBL353797,
CTK2E0557,
DTXSID70335452,
ZINC101367010,
CID525231,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.683g/mol |
| Monoisotopic Mass | 192.092g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number