4-fluoro-3-(oxan-2-yloxy)phenylboronic acid

4-fluoro-3-(oxan-2-yloxy)phenylboronic acid

CAS: 1217501-17-1

Formula: C11H14BFO4

SMILES: OB(O)C1=CC=C(F)C(OC2CCCCO2)=C1

IUPAC: [4-fluoro-3-(oxan-2-yloxy)phenyl]boronic acid

InChI: InChI=1/C11H14BFO4/c13-9-5-4-8(12(14)15)7-10(9)17-11-3-1-2-6-16-11/h4-5,7,11,14-15H,1-3,6H2

Composition: C (55.04%), H (5.88%), B (4.50%), F (7.91%), O (26.66%)

Molar Mass: 240.04

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	240.096917
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VVNRFWUGZNHVBH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.32
Topological Polar Surface Area	58.92
Polarizability	23.11
Ring Count	2
Rotatable Bond Count	3

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