| CAS Number | 197387-33-0 |
| Catalog Number | AG002AS5(AGN-PC-03SV2E) |
| Chemical Name | Cyclohexanone, 4-(bromomethyl)- |
| IUPAC Name | 4-(bromomethyl)cyclohexan-1-one |
| InChI | InChI=1S/C7H11BrO/c8-5-6-1-3-7(9)4-2-6/h6H,1-5H2 |
| InChI Key | TXKUIDPIVDLMHW-UHFFFAOYSA-N |
| MDL Number | MFCD20637900 |
| Molecular Formula | C7H11BrO |
| Molecular Weight | 191.0656 |
| SMILES | O=C1CCC(CBr)CC1 |
| Synonyms | 4-(Bromomethyl)cyclohexan-1-one,
197387-33-0,
4-(bromomethyl)cyclohexanone,
Cyclohexanone, 4-(bromomethyl)-,
SCHEMBL4093712,
CTK0A0313,
DTXSID30627163,
ZINC90627527,
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| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.068g/mol |
| Monoisotopic Mass | 189.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number