| CAS Number | 1820674-25-6 |
| Catalog Number | AG00I0RO(AGN-PC-0WOCE7) |
| Chemical Name | Methyl 4-bromocyclohex-3-ene-1-carboxylate |
| IUPAC Name | methyl 4-bromocyclohex-3-ene-1-carboxylate |
| InChI | InChI=1S/C8H11BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h4,6H,2-3,5H2,1H3 |
| InChI Key | GMRKRCWRLAOLRS-UHFFFAOYSA-N |
| MDL Number | MFCD28024853 |
| Molecular Formula | C8H11BrO2 |
| Molecular Weight | 219.0757 |
| SMILES | COC(=O)C1CCC(=CC1)Br |
| Synonyms | METHYL 4-BROMOCYCLOHEX-3-ENE-1-CARBOXYLATE,
1820674-25-6,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.078g/mol |
| Monoisotopic Mass | 217.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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