2-(dihydroxyboranyl)-5-fluorobenzoic acid

2-(dihydroxyboranyl)-5-fluorobenzoic acid

CAS: 874290-63-8

Formula: C7H6BFO4

SMILES: OB(O)C1=CC=C(F)C=C1C(O)=O

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

InChI: InChI=1S/C7H6BFO4/c9-4-1-2-6(8(12)13)5(3-4)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	FMVANIKYUYQABO-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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