| CAS Number | 57539-98-7 |
| Catalog Number | AG00ER33(AGN-PC-00K3IA) |
| Chemical Name | 1-chloro-3-methoxy-3-methylbutan-2-one |
| IUPAC Name | 1-chloro-3-methoxy-3-methylbutan-2-one |
| InChI | InChI=1S/C6H11ClO2/c1-6(2,9-3)5(8)4-7/h4H2,1-3H3 |
| InChI Key | FWXZFIQYZBZQIE-UHFFFAOYSA-N |
| MDL Number | MFCD18813307 |
| Molecular Formula | C6H11ClO2 |
| Molecular Weight | 150.6033 |
| SMILES | COC(C(CCl)=O)(C)C |
| Synonyms | 1-chloro-3-methoxy-3-methylbutan-2-one,
57539-98-7,
CTK8J4179,
ZINC39125543,
AKOS006382040,
1-chloro-3-methoxy-3-methyl-butan-2-one,
2-Butanone, 1-chloro-3-methoxy-3-methyl-,
2-Butanone, 1-chloro-3-methoxy-3-methyl-,
|
| Complexity | 110 |
| 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 | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number