4-ethoxy-2,6-difluorophenylboronic acid

4-ethoxy-2,6-difluorophenylboronic acid

CAS: 1310403-94-1

Formula: C8H9BF2O3

SMILES: CCOC1=CC(F)=C(B(O)O)C(F)=C1

IUPAC: (4-ethoxy-2,6-difluorophenyl)boronic acid

InChI: InChI=1S/C8H9BF2O3/c1-2-14-5-3-6(10)8(9(12)13)7(11)4-5/h3-4,12-13H,2H2,1H3

Composition: C (47.58%), H (4.49%), B (5.35%), F (18.81%), O (23.77%)

Molar Mass: 201.96

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.06128
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MCHIBZJJQDCWMG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.25
Topological Polar Surface Area	49.69
Polarizability	17.41
Ring Count	1
Rotatable Bond Count	3

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