2-(benzyloxy)-6-fluorophenylboronic acid

2-(benzyloxy)-6-fluorophenylboronic acid

CAS: 1217500-53-2

Formula: C13H12BFO3

SMILES: OB(O)C1=C(OCC2=CC=CC=C2)C=CC=C1F

IUPAC: [2-(benzyloxy)-6-fluorophenyl]boronic acid

InChI: InChI=1S/C13H12BFO3/c15-11-7-4-8-12(13(11)14(16)17)18-9-10-5-2-1-3-6-10/h1-8,16-17H,9H2

Composition: C (63.46%), H (4.92%), B (4.39%), F (7.72%), O (19.51%)

Molar Mass: 246.04

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	246.086352
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NBRVDQVRGXXXIE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.9
Topological Polar Surface Area	49.69
Polarizability	25.3
Ring Count	2
Rotatable Bond Count	4

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