2,3,4-trifluorophenylboronic acid

2,3,4-trifluorophenylboronic acid

CAS: 226396-32-3

Formula: C6H4BF3O2

SMILES: OB(O)C1=C(F)C(F)=C(F)C=C1

IUPAC: (2,3,4-trifluorophenyl)boronic acid

InChI: InChI=1S/C6H4BF3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H

Composition: C (40.97%), H (2.29%), B (6.15%), F (32.40%), O (18.19%)

Molar Mass: 175.9

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.025644
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	CLGIPVVEERQWSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.25
Topological Polar Surface Area	40.46
Polarizability	12.92
Ring Count	1
Rotatable Bond Count	1

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