3-chloro-5-ethoxy-4-fluorophenylboronic acid

3-chloro-5-ethoxy-4-fluorophenylboronic acid

CAS: 2096339-86-3

Formula: C8H9BClFO3

SMILES: CCOC1=CC(=CC(Cl)=C1F)B(O)O

IUPAC: (3-chloro-5-ethoxy-4-fluorophenyl)boronic acid

InChI: InChI=1S/C8H9BClFO3/c1-2-14-7-4-5(9(12)13)3-6(10)8(7)11/h3-4,12-13H,2H2,1H3

Composition: C (43.99%), H (4.15%), B (4.95%), Cl (16.23%), F (8.70%), O (21.98%)

Molar Mass: 218.42

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.03173
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VKAFYCSFDIBYHK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.84
Topological Polar Surface Area	49.69
Polarizability	19.58
Ring Count	1
Rotatable Bond Count	3

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