[3-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]phenyl]boronic acid

Systemtic Name: [3-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]phenyl]boronic acid Openeye Name: [3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]phenyl]boronic acid CAS Name: [3-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]phenyl]boronic acid IUPAC Name: [3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]boronic acid Traditional Name: [3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]phenyl]boronic acid Formula: C10H8BClFN3O2 MolecularWeight: 267.451823

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)NC2=NC(=NC=C2F)Cl)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)NC2=NC(=NC=C2F)Cl)(O)O

InChI

InChI=1S/C10H8BClFN3O2/c12-10-14-5-8(13)9(16-10)15-7-3-1-2-6(4-7)11(17)18/h1-5,17-18H,(H,14,15,16)