3-(benzyloxy)-5-(trifluoromethoxy)phenylboronic acid

3-(benzyloxy)-5-(trifluoromethoxy)phenylboronic acid

CAS: 1256345-95-5

Formula: C14H12BF3O4

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

IUPAC: [3-(benzyloxy)-5-(trifluoromethoxy)phenyl]boronic acid

InChI: InChI=1S/C14H12BF3O4/c16-14(17,18)22-13-7-11(15(19)20)6-12(8-13)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2

Composition: C (53.89%), H (3.88%), B (3.46%), F (18.26%), O (20.51%)

Molar Mass: 312.05

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	312.078073
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BDELXVOPRDLJAU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.75
Topological Polar Surface Area	58.92
Polarizability	27.48
Ring Count	2
Rotatable Bond Count	6

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