4-[(3-chloranyl-2-oxidanyl-propyl)amino]benzoic acid

Systemtic Name: 4-[(3-chloranyl-2-oxidanyl-propyl)amino]benzoic acid Openeye Name: 4-[(3-chloro-2-hydroxy-propyl)amino]benzoic acid CAS Name: 4-[(3-chloro-2-hydroxypropyl)amino]benzoic acid IUPAC Name: 4-[(3-chloro-2-hydroxypropyl)amino]benzoic acid Traditional Name: 4-[(3-chloro-2-hydroxy-propyl)amino]benzoic acid Formula: C10H12ClNO3 MolecularWeight: 229.66018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC(CCl)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC(CCl)O

InChI

InChI=1S/C10H12ClNO3/c11-5-9(13)6-12-8-3-1-7(2-4-8)10(14)15/h1-4,9,12-13H,5-6H2,(H,14,15)