3-chloro-4-[(4-fluorophenyl)methoxy]phenylboronic acid

3-chloro-4-[(4-fluorophenyl)methoxy]phenylboronic acid

CAS: 849062-39-1

Formula: C13H11BClFO3

SMILES: OB(O)C1=CC=C(OCC2=CC=C(F)C=C2)C(Cl)=C1

IUPAC: {3-chloro-4-[(4-fluorophenyl)methoxy]phenyl}boronic acid

InChI: InChI=1S/C13H11BClFO3/c15-12-7-10(14(17)18)3-6-13(12)19-8-9-1-4-11(16)5-2-9/h1-7,17-18H,8H2

Composition: C (55.67%), H (3.95%), B (3.85%), Cl (12.64%), F (6.77%), O (17.11%)

Molar Mass: 280.49

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.04738
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GLLLLVYDIZNTKE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.7
Topological Polar Surface Area	49.69
Polarizability	27.23
Ring Count	2
Rotatable Bond Count	4

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