4-chloro-3,5-difluorophenylboronic acid

4-chloro-3,5-difluorophenylboronic acid

CAS: 864759-63-7

Formula: C6H4BClF2O2

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

IUPAC: (4-chloro-3,5-difluorophenyl)boronic acid

InChI: InChI=1S/C6H4BClF2O2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,11-12H

Composition: C (37.47%), H (2.10%), B (5.62%), Cl (18.43%), F (19.75%), O (16.64%)

Molar Mass: 192.35

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.996093
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	QFZAPMPDGUNQDD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.84
Topological Polar Surface Area	40.46
Polarizability	15.08
Ring Count	1
Rotatable Bond Count	1

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