2-fluoro-3-(2-methylpropoxy)phenylboronic acid

2-fluoro-3-(2-methylpropoxy)phenylboronic acid

CAS: 1217500-66-7

Formula: C10H14BFO3

SMILES: CC(C)COC1=C(F)C(=CC=C1)B(O)O

IUPAC: [2-fluoro-3-(2-methylpropoxy)phenyl]boronic acid

InChI: InChI=1S/C10H14BFO3/c1-7(2)6-15-9-5-3-4-8(10(9)12)11(13)14/h3-5,7,13-14H,6H2,1-2H3

Composition: C (56.65%), H (6.66%), B (5.10%), F (8.96%), O (22.64%)

Molar Mass: 212.03

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.102002
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BWKSJTLWBHWGNM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.03
Topological Polar Surface Area	49.69
Polarizability	21.26
Ring Count	1
Rotatable Bond Count	4

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