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barium(2+) bis(2-(trifluoromethoxy)benzoate)

barium(2+) bis(2-(trifluoromethoxy)benzoate)

CAS: 150436-84-3

Formula: C16H8BaF6O6

SMILES: [Ba++].[O-]C(=O)C1=CC=CC=C1OC(F)(F)F.[O-]C(=O)C1=CC=CC=C1OC(F)(F)F

IUPAC: barium(2+) bis(2-(trifluoromethoxy)benzoate)

InChI: InChI=1S/2C8H5F3O3.Ba/c2*9-8(10,11)14-6-4-2-1-3-5(6)7(12)13;/h2*1-4H,(H,12,13);/q;;+2/p-2

Composition: C (35.10%), H (1.47%), Ba (25.08%), F (20.82%), O (17.53%)

Molar Mass: 547.551

Atom Count: 37

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 547.927754
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JGLDHBUPRZZTAB-UHFFFAOYSA-L
Lipinski's Rule of Five
Molar Refractivity 47.22
Topological Polar Surface Area 49.36
Polarizability 14.74
Ring Count 2
Rotatable Bond Count 6

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97% <6 Days 150436-84-3 $265.65$265.65
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