[4-(azepan-1-ylmethyl)phenyl]boronic acid

Systemtic Name: [4-(azepan-1-ylmethyl)phenyl]boronic acid Openeye Name: [4-(azepan-1-ylmethyl)phenyl]boronic acid CAS Name: [4-(1-azepanylmethyl)phenyl]boronic acid IUPAC Name: [4-(azepan-1-ylmethyl)phenyl]boronic acid Traditional Name: [4-(azepan-1-ylmethyl)phenyl]boronic acid Formula: C13H20BNO2 MolecularWeight: 233.1144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CN2CCCCCC2)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CN2CCCCCC2)(O)O

InChI

InChI=1S/C13H20BNO2/c16-14(17)13-7-5-12(6-8-13)11-15-9-3-1-2-4-10-15/h5-8,16-17H,1-4,9-11H2