[5-(1-adamantyl)-2-chloranyl-4-methoxy-phenyl]boronic acid

Systemtic Name: [5-(1-adamantyl)-2-chloranyl-4-methoxy-phenyl]boronic acid Openeye Name: [5-(1-adamantyl)-2-chloro-4-methoxy-phenyl]boronic acid CAS Name: [5-(1-adamantyl)-2-chloro-4-methoxyphenyl]boronic acid IUPAC Name: [5-(1-adamantyl)-2-chloro-4-methoxyphenyl]boronic acid Traditional Name: [5-(1-adamantyl)-2-chloro-4-methoxy-phenyl]boronic acid Formula: C17H22BClO3 MolecularWeight: 320.61878

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=C(C=C1Cl)OC)C23CC4CC(C2)CC(C4)C3)(O)O

Isomeric SMILES

B(C1=CC(=C(C=C1Cl)OC)C23CC4CC(C2)CC(C4)C3)(O)O

InChI

InChI=1S/C17H22BClO3/c1-22-16-6-15(19)14(18(20)21)5-13(16)17-7-10-2-11(8-17)4-12(3-10)9-17/h5-6,10-12,20-21H,2-4,7-9H2,1H3