[3-(2-chloroethylcarbamoyl)phenyl]boronic acid

Systemtic Name: [3-(2-chloroethylcarbamoyl)phenyl]boronic acid Openeye Name: [3-(2-chloroethylcarbamoyl)phenyl]boronic acid CAS Name: [3-[(2-chloroethylamino)-oxomethyl]phenyl]boronic acid IUPAC Name: [3-(2-chloroethylcarbamoyl)phenyl]boronic acid Traditional Name: [3-(2-chloroethylcarbamoyl)phenyl]boronic acid Formula: C9H11BClNO3 MolecularWeight: 227.45254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11BClNO3/c11-4-5-12-9(13)7-2-1-3-8(6-7)10(14)15/h1-3,6,14-15H,4-5H2,(H,12,13)