| CAS Number | 1195430-98-8 |
| Catalog Number | AG01BC6O |
| Chemical Name | Methyl 1-(bromomethyl)cyclohexane-1-carboxylate |
| IUPAC Name | methyl 1-(bromomethyl)cyclohexane-1-carboxylate |
| InChI | InChI=1S/C9H15BrO2/c1-12-8(11)9(7-10)5-3-2-4-6-9/h2-7H2,1H3 |
| InChI Key | TWFWEWQJXCQERH-UHFFFAOYSA-N |
| MDL Number | MFCD18207650 |
| Molecular Formula | C9H15BrO2 |
| Molecular Weight | 235.1182 |
| SMILES | COC(C1(CCCCC1)CBr)=O |
| Synonyms | 1195430-98-8,
Methyl 1-(bromomethyl)cyclohexanecarboxylate,
methyl 1-(bromomethyl)cyclohexane-1-carboxylate,
ZINC238372871,
cyclohexanecarboxylic acid, 1-(bromomethyl)-, methyl ester,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.121g/mol |
| Monoisotopic Mass | 234.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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