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4-ethoxy-2,3-difluorophenylboronic acid

4-ethoxy-2,3-difluorophenylboronic acid

CAS: 212386-71-5

Formula: C8H9BF2O3

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

IUPAC: (4-ethoxy-2,3-difluorophenyl)boronic acid

InChI: InChI=1S/C8H9BF2O3/c1-2-14-6-4-3-5(9(12)13)7(10)8(6)11/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 OBKSFBWOZSQGGC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.25
Topological Polar Surface Area 49.69
Polarizability 17.4
Ring Count 1
Rotatable Bond Count 3

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