| CAS Number | 128312-69-6 |
| Catalog Number | AG000XZK(AGN-PC-0NF9LE) |
| Chemical Name | Ethanone, 2-bromo-1-cyclobutyl- |
| IUPAC Name | 2-bromo-1-cyclobutylethanone |
| InChI | InChI=1S/C6H9BrO/c7-4-6(8)5-2-1-3-5/h5H,1-4H2 |
| InChI Key | ODPHLRQTQFMNJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11847541 |
| Molecular Formula | C6H9BrO |
| Molecular Weight | 177.0391 |
| SMILES | BrCC(C1CCC1)=O |
| Synonyms | 2-BROMO-1-CYCLOBUTYLETHANONE,
128312-69-6,
2-bromo-1-cyclobutylethan-1-one,
Ethanone, 2-bromo-1-cyclobutyl-,
bromomethyl cyclobutyl ketone,
SCHEMBL477153,
2-bromo-1-cyclobutyl-1-ethanone,
ODPHLRQTQFMNJQ-UHFFFAOYSA-N,
MFCD11847541,
ZINC34622067,
AKOS017349822,
NE15290,
BS-12978,
SC-23369,
2-bromo-1-cyclobutyl-ethanone,
CID11062940,
Ethanone, 2-bromo-1-cyclobutyl- (9CI),
|
| Complexity | 96.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.041g/mol |
| Monoisotopic Mass | 175.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number