4-(benzyloxy)-3-(trifluoromethyl)phenylboronic acid

4-(benzyloxy)-3-(trifluoromethyl)phenylboronic acid

CAS: 1245014-05-4

Formula: C14H12BF3O3

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

IUPAC: [4-(benzyloxy)-3-(trifluoromethyl)phenyl]boronic acid

InChI: InChI=1S/C14H12BF3O3/c16-14(17,18)12-8-11(15(19)20)6-7-13(12)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2

Composition: C (56.80%), H (4.09%), B (3.65%), F (19.25%), O (16.21%)

Molar Mass: 296.05

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	296.083159
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WNDRDSTVBFGULJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.65
Topological Polar Surface Area	49.69
Polarizability	26.71
Ring Count	2
Rotatable Bond Count	5

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