| CAS Number | 56680-71-8 |
| Catalog Number | AG01E72C(AGN-PC-0NIANU) |
| Chemical Name | 2-(Propan-2-yloxy)acetyl chloride |
| IUPAC Name | 2-propan-2-yloxyacetyl chloride |
| InChI | InChI=1S/C5H9ClO2/c1-4(2)8-3-5(6)7/h4H,3H2,1-2H3 |
| InChI Key | PHIQSJFVVPYMOR-UHFFFAOYSA-N |
| MDL Number | MFCD26054187 |
| Molecular Formula | C5H9ClO2 |
| Molecular Weight | 136.5768 |
| SMILES | CC(OCC(Cl)=O)C |
| Synonyms | 56680-71-8,
2-(PROPAN-2-YLOXY)ACETYL CHLORIDE,
Acetyl chloride, (1-methylethoxy)-,
(1-methylethoxy)acetyl chloride,
isopropoxyacetylchloride,
SCHEMBL3304660,
CTK1F4062,
DTXSID20483174,
PHIQSJFVVPYMOR-UHFFFAOYSA-N,
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| Complexity | 80.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.575g/mol |
| Monoisotopic Mass | 136.029g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number