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4-ethoxy-3-(trifluoromethyl)phenylboronic acid

4-ethoxy-3-(trifluoromethyl)phenylboronic acid

CAS: 871329-83-8

Formula: C9H10BF3O3

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

IUPAC: [4-ethoxy-3-(trifluoromethyl)phenyl]boronic acid

InChI: InChI=1S/C9H10BF3O3/c1-2-16-8-4-3-6(10(14)15)5-7(8)9(11,12)13/h3-5,14-15H,2H2,1H3

Composition: C (46.20%), H (4.31%), B (4.62%), F (24.36%), O (20.51%)

Molar Mass: 233.98

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 234.067509
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SHCPXHBLEGXHIV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.79
Topological Polar Surface Area 49.69
Polarizability 19.14
Ring Count 1
Rotatable Bond Count 4

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