| CAS Number | 1370601-11-8 |
| Catalog Number | AG0012S2(AGN-PC-0WAIWL) |
| Chemical Name | 2-Bromo-1-(4,4-difluorocyclohexyl)ethanone |
| IUPAC Name | 2-bromo-1-(4,4-difluorocyclohexyl)ethanone |
| InChI | InChI=1S/C8H11BrF2O/c9-5-7(12)6-1-3-8(10,11)4-2-6/h6H,1-5H2 |
| InChI Key | KEDIVRGYXYQZEK-UHFFFAOYSA-N |
| MDL Number | MFCD24266743 |
| Molecular Formula | C8H11BrF2O |
| Molecular Weight | 241.0731 |
| SMILES | BrCC(=O)C1CCC(CC1)(F)F |
| Synonyms | 1370601-11-8,
2-bromo-1-(4,4-difluorocyclohexyl)-ethanone,
2-bromo-1-(4,4-difluorocyclohexyl)ethan-1-one,
SCHEMBL16913999,
ZINC96373631,
AKOS020916550,
NE25417,
SB13400,
SC-65759,
Ethanone, 2-bromo-1-(4,4-difluorocyclohexyl)-,
2-BROMO-1-(4,4-DIFLUOROCYCLOHEXYL)ETHANONE,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.076g/mol |
| Monoisotopic Mass | 239.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number