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4-fluoro-2H-1,3-benzodioxol-5-ylboronic acid

4-fluoro-2H-1,3-benzodioxol-5-ylboronic acid

Formula: C7H6BFO4

SMILES: OB(O)C1=C(F)C2=C(OCO2)C=C1

IUPAC: (4-fluoro-2H-1,3-benzodioxol-5-yl)boronic acid

InChI: InChI=1S/C7H6BFO4/c9-6-4(8(10)11)1-2-5-7(6)13-3-12-5/h1-2,10-11H,3H2

Composition: C (45.71%), H (3.29%), B (5.88%), F (10.33%), O (34.79%)

Molar Mass: 183.93

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 184.034317
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IIUUBGPDUHFEQA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.59
Topological Polar Surface Area 58.92
Polarizability 15.83
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C7H6BFO4 $444.13-$4,901.27$444.13$771.38$1,706.38$4,901.27
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