methyl 6-chloranylpyridine-3-carboxylate; [4-(trifluoromethyl)phenyl]boronic acid

Systemtic Name: methyl 6-chloranylpyridine-3-carboxylate; [4-(trifluoromethyl)phenyl]boronic acid Openeye Name: methyl 6-chloropyridine-3-carboxylate; [4-(trifluoromethyl)phenyl]boronic acid CAS Name: 6-chloro-3-pyridinecarboxylic acid methyl ester; [4-(trifluoromethyl)phenyl]boronic acid IUPAC Name: methyl 6-chloropyridine-3-carboxylate; [4-(trifluoromethyl)phenyl]boronic acid Traditional Name: 6-chloronicotinic acid methyl ester; [4-(trifluoromethyl)phenyl]boronic acid Formula: C14H12BClF3NO4 MolecularWeight: 361.50859

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C(F)(F)F)(O)O.COC(=O)C1=CN=C(C=C1)Cl

Isomeric SMILES

B(C1=CC=C(C=C1)C(F)(F)F)(O)O.COC(=O)C1=CN=C(C=C1)Cl

InChI

InChI=1S/C7H6BF3O2.C7H6ClNO2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13;1-11-7(10)5-2-3-6(8)9-4-5/h1-4,12-13H;2-4H,1H3