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4-ethoxy-3-fluorophenylboronic acid

4-ethoxy-3-fluorophenylboronic acid

CAS: 279263-10-4

Formula: C8H10BFO3

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

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

InChI: InChI=1S/C8H10BFO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/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 ZONJMULNQBNBGU-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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