3-fluoro-2-(hydroxymethyl)phenylboronic acid

3-fluoro-2-(hydroxymethyl)phenylboronic acid

CAS: 1246633-55-5

Formula: C7H8BFO3

SMILES: OCC1=C(F)C=CC=C1B(O)O

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

InChI: InChI=1S/C7H8BFO3/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-3,10-12H,4H2

Composition: C (49.47%), H (4.75%), B (6.36%), F (11.18%), O (28.24%)

Molar Mass: 169.95

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.055052
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	FNZUUOCXJIJMBF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.64
Topological Polar Surface Area	60.69
Polarizability	15.72
Ring Count	1
Rotatable Bond Count	2

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