2-methoxy-5-(trifluoromethoxy)phenylboronic acid

2-methoxy-5-(trifluoromethoxy)phenylboronic acid

CAS: 290832-43-8

Formula: C8H8BF3O4

SMILES: COC1=CC=C(OC(F)(F)F)C=C1B(O)O

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

InChI: InChI=1S/C8H8BF3O4/c1-15-7-3-2-5(16-8(10,11)12)4-6(7)9(13)14/h2-4,13-14H,1H3

Composition: C (40.72%), H (3.42%), B (4.58%), F (24.16%), O (27.12%)

Molar Mass: 235.95

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	236.046773
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PZDNMFGRXYPDJA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.14
Topological Polar Surface Area	58.92
Polarizability	18.15
Ring Count	1
Rotatable Bond Count	4

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