2-{[(4-Bromo-2-Fluorophenyl)Sulfonyl]Amino}-5-Phenoxybenzoic Acid

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Properties Simple | Detailed

Formula C19H13BrFNO5S
IUPAC Name 2-[(4-bromo-2-fluoro-phenyl)sulfonylamino]-5-phenoxy-benzoic acid
Molecular Mass 466.278 g·mol−1
Heat of Formation -718.1 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 441.65 Å 3
Surface Area 380.91 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
InChIKey ONNNBBBPFLLYHY-UHFFFAOYSA-N
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Elements C F H O N S Br