tert-butyl 3-[bis(fluoranyl)methyl]-4-(bromomethyl)benzoate

Systemtic Name: tert-butyl 3-[bis(fluoranyl)methyl]-4-(bromomethyl)benzoate Openeye Name: tert-butyl 4-(bromomethyl)-3-(difluoromethyl)benzoate CAS Name: 4-(bromomethyl)-3-(difluoromethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(bromomethyl)-3-(difluoromethyl)benzoate Traditional Name: 4-(bromomethyl)-3-(difluoromethyl)benzoic acid tert-butyl ester Formula: C13H15BrF2O2 MolecularWeight: 321.157806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CBr)C(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CBr)C(F)F

InChI

InChI=1S/C13H15BrF2O2/c1-13(2,3)18-12(17)8-4-5-9(7-14)10(6-8)11(15)16/h4-6,11H,7H2,1-3H3