5-hydroxy-2-(trifluoromethoxy)phenylboronic acid

5-hydroxy-2-(trifluoromethoxy)phenylboronic acid

CAS: 1217500-69-0

Formula: C7H6BF3O4

SMILES: OB(O)C1=CC(O)=CC=C1OC(F)(F)F

IUPAC: [5-hydroxy-2-(trifluoromethoxy)phenyl]boronic acid

InChI: InChI=1S/C7H6BF3O4/c9-7(10,11)15-6-2-1-4(12)3-5(6)8(13)14/h1-3,12-14H

Composition: C (37.89%), H (2.73%), B (4.87%), F (25.68%), O (28.84%)

Molar Mass: 221.93

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.031123
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	GRXHOVJTALGZII-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.65
Topological Polar Surface Area	69.92
Polarizability	16.31
Ring Count	1
Rotatable Bond Count	3

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