6-bromanyl-2,2-bis(fluoranylmethyl)chromene-4-carboxylic acid

Systemtic Name: 6-bromanyl-2,2-bis(fluoranylmethyl)chromene-4-carboxylic acid Openeye Name: 6-bromo-2,2-bis(fluoromethyl)chromene-4-carboxylic acid CAS Name: 6-bromo-2,2-bis(fluoromethyl)-1-benzopyran-4-carboxylic acid IUPAC Name: 6-bromo-2,2-bis(fluoromethyl)chromene-4-carboxylic acid Traditional Name: 6-bromo-2,2-bis(fluoromethyl)chromene-4-carboxylic acid Formula: C12H9BrF2O3 MolecularWeight: 319.098866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CC(O2)(CF)CF)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CC(O2)(CF)CF)C(=O)O

InChI

InChI=1S/C12H9BrF2O3/c13-7-1-2-10-8(3-7)9(11(16)17)4-12(5-14,6-15)18-10/h1-4H,5-6H2,(H,16,17)