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2-ethoxy-4-fluorophenylboronic acid

2-ethoxy-4-fluorophenylboronic acid

CAS: 480438-58-2

Formula: C8H10BFO3

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

IUPAC: (2-ethoxy-4-fluorophenyl)boronic acid

InChI: InChI=1S/C8H10BFO3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5,11-12H,2H2,1H3

Composition: C (52.23%), H (5.48%), B (5.88%), F (10.33%), O (26.09%)

Molar Mass: 183.97

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 184.070702
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WCJKVQYVILAKQW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.03
Topological Polar Surface Area 49.69
Polarizability 17.61
Ring Count 1
Rotatable Bond Count 3

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