| CAS Number | 82504-50-5 |
| Catalog Number | AG01B6IB(AGN-PC-0JSHR9) |
| Chemical Name | chloromethyl 3-methylbutanoate |
| IUPAC Name | chloromethyl 3-methylbutanoate |
| InChI | InChI=1S/C6H11ClO2/c1-5(2)3-6(8)9-4-7/h5H,3-4H2,1-2H3 |
| InChI Key | GDUQVLASZBFABN-UHFFFAOYSA-N |
| MDL Number | MFCD19232164 |
| Molecular Formula | C6H11ClO2 |
| Molecular Weight | 150.6033 |
| SMILES | CC(C)CC(=O)OCCl |
| Synonyms | Chloromethyl 3-methylbutanoate,
82504-50-5,
GDUQVLASZBFABN-UHFFFAOYSA-N,
AC1LBERA,
isovaleryloxy-methylchloride,
Monochloromethyl isopentanoate,
SCHEMBL698060,
Chloromethyl 3-methylbutanoate #,
CTK6H8682,
ZINC32182885,
AKOS006385285,
3-Methylbutyric acid chloromethyl ester,
A1-10566,
chloromethyl isobutyl carbonate,
CID534383,
|
| Complexity | 91.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.602g/mol |
| Monoisotopic Mass | 150.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number