2-fluoro-5-(hydroxymethyl)phenylboronic acid

2-fluoro-5-(hydroxymethyl)phenylboronic acid

CAS: 1072952-25-0

Formula: C7H8BFO3

SMILES: OCC1=CC(B(O)O)=C(F)C=C1

IUPAC: [2-fluoro-5-(hydroxymethyl)phenyl]boronic acid

InChI: InChI=1S/C7H8BFO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/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	CMJGYVJNQJJJOZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.64
Topological Polar Surface Area	60.69
Polarizability	15.73
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1072952-25-0		$51.35-$230.52$51.35$63.37$86.31$230.52