[(2-bromanyl-4-cyano-phenyl)-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [(2-bromanyl-4-cyano-phenyl)-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [(2-bromo-4-cyano-phenyl)-difluoro-methyl]phosphonic acid CAS Name: [(2-bromo-4-cyanophenyl)-difluoromethyl]phosphonic acid IUPAC Name: [(2-bromo-4-cyanophenyl)-difluoromethyl]phosphonic acid Traditional Name: [(2-bromo-4-cyano-phenyl)-difluoro-methyl]phosphonic acid Formula: C8H5BrF2NO3P MolecularWeight: 312.004767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)Br)C(F)(F)P(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)Br)C(F)(F)P(=O)(O)O

InChI

InChI=1S/C8H5BrF2NO3P/c9-7-3-5(4-12)1-2-6(7)8(10,11)16(13,14)15/h1-3H,(H2,13,14,15)