[({[4-(1H-Tetrazol-5-Yl)-2-(Trifluoromethyl)Phenyl]Sulfonyl}Amino)Methyl]Boronic Acid

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Properties Simple | Detailed

Formula C9H9BF3N5O4S
IUPAC Name [[4-(2h-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methylboronic acid
Molecular Mass 351.070 g·mol−1
Heat of Formation -1172.6 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 342.53 Å 3
Surface Area 302.53 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
InChIKey KJEUORQIESDSSV-UHFFFAOYSA-N
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