5-fluoro-2-[(3-fluorophenyl)methoxy]phenylboronic acid

5-fluoro-2-[(3-fluorophenyl)methoxy]phenylboronic acid

CAS: 1256358-53-8

Formula: C13H11BF2O3

SMILES: OB(O)C1=CC(F)=CC=C1OCC1=CC=CC(F)=C1

IUPAC: {5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl}boronic acid

InChI: InChI=1S/C13H11BF2O3/c15-10-3-1-2-9(6-10)8-19-13-5-4-11(16)7-12(13)14(17)18/h1-7,17-18H,8H2

Composition: C (59.14%), H (4.20%), B (4.09%), F (14.39%), O (18.18%)

Molar Mass: 264.03

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	264.076931
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LJXTUAJFEOPZEL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.11
Topological Polar Surface Area	49.69
Polarizability	25.03
Ring Count	2
Rotatable Bond Count	4

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