trans-2-Phenylcyclopropyl isocyanate
[(1S,2R)-2-isocyanatocyclopropyl]benzene
Also Known As: trans-2-Phenylcyclopropyl isocyanate|null|[(1s,2r)-2-isocyanatocyclopropyl]benzene|Trans-2-phenylcyclopropylisocyanate|EINECS 252-320-7|(1)-trans-2-Phenylcyclopropyl isocyanate|KST-1A6795|5843AF|trans-2-phenyl-cyclopropyl-isocyanate|Benzene, (2-isocyanatocyclopropyl)-, trans-|1beta-Phenyl-2alpha-isocyanatocyclopropane|((1s,2r)-2-isocyanatocyclopropyl)benzene|(+-)-trans-2-phenylcyclopropyl isocyanate|[(1R,2S)-2-Isocyanatocyclopropyl]benzene|rel-[(1R,2S)-2-Isocyanatocyclopropyl]benzene|2alpha-Phenylcyclopropane-1beta-yl isocyanate|(+/-) ((1S,2R)-2-isocyanatocyclopropyl)benzene|(+/-)((1S,2R)-2-isocyanatocyclopropyl)benzene|Benzene, [(1R,2S)-2-isocyanatocyclopropyl]-, rel-|trans-2-Phenylcyclopropyl isocyanate, 90%, remainder predominantly cis|( inverted exclamation markA)-trans-2-phenylcyclopropyl isocyanate|627-559-9
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.06842 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.06842 |
| Monoisotopic Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 762286-33-9 |
|---|---|
| SMILES | C1[C@H]([C@@H]1N=C=O)C2=CC=CC=C2 |
| InChIKey | DYUXVJAFBUZREW-VHSXEESVSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-2-Phenylcyclopropyl isocyanate (CAS 762286-33-9), with molecular formula C10H9NO and molecular weight 159.06842 g/mol. IUPAC: [(1S,2R)-2-isocyanatocyclopropyl]benzene.
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