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5-(dihydroxyboranyl)-2-fluorobenzoic acid

5-(dihydroxyboranyl)-2-fluorobenzoic acid

CAS: 872460-12-3

Formula: C7H6BFO4

SMILES: OB(O)C1=CC(C(O)=O)=C(F)C=C1

IUPAC: 5-(dihydroxyboranyl)-2-fluorobenzoic acid

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

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
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey DGORTXQWDDXSIQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.08
Topological Polar Surface Area 77.76
Polarizability 15.7
Ring Count 1
Rotatable Bond Count 2

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