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3-chloro-2-ethoxy-5-fluorophenylboronic acid

3-chloro-2-ethoxy-5-fluorophenylboronic acid

Formula: C8H9BClFO3

SMILES: CCOC1=C(Cl)C=C(F)C=C1B(O)O

IUPAC: (3-chloro-2-ethoxy-5-fluorophenyl)boronic acid

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