2230807-20-0
Product Name:
rac-(1R,4R,5R)-1-(3-bromophenyl)bicyclo[2.1.1]hexane-5-carboxylic acid
Formula:
C13H13BrO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 281.14 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 280.00989 g/mol |
| Monoisotopic Mass | 280.00989 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 317 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |