2-methoxy-4-(trifluoromethyl)phenylboronic acid

2-methoxy-4-(trifluoromethyl)phenylboronic acid

CAS: 312936-89-3

Formula: C8H8BF3O3

SMILES: COC1=C(C=CC(=C1)C(F)(F)F)B(O)O

IUPAC: [2-methoxy-4-(trifluoromethyl)phenyl]boronic acid

InChI: InChI=1S/C8H8BF3O3/c1-15-7-4-5(8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3

Composition: C (43.69%), H (3.67%), B (4.91%), F (25.91%), O (21.82%)

Molar Mass: 219.95

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.051859
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UCNRYDKUBYQIOW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.04
Topological Polar Surface Area	49.69
Polarizability	17.35
Ring Count	1
Rotatable Bond Count	3

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