| CAS Number | 30800-71-6 |
| Catalog Number | AG01C15R(AGN-PC-03DLSO) |
| Chemical Name | 1-(Bromomethyl)-1-methoxycyclobutane |
| IUPAC Name | 1-(bromomethyl)-1-methoxycyclobutane |
| InChI | InChI=1S/C6H11BrO/c1-8-6(5-7)3-2-4-6/h2-5H2,1H3 |
| InChI Key | FCQKZXITDZGVOL-UHFFFAOYSA-N |
| MDL Number | MFCD20625643 |
| Molecular Formula | C6H11BrO |
| Molecular Weight | 179.0549 |
| SMILES | COC1(CCC1)CBr |
| Synonyms | 1-(bromomethyl)-1-methoxycyclobutane,
1-bromomethyl-1-methoxycyclobutane,
30800-71-6,
1-(bromomethyl)-1-methoxy-cyclobutane,
ZINC197450599,
|
| Complexity | 78.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.057g/mol |
| Monoisotopic Mass | 177.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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