4-(oxetan-3-yl)phenylboronic acid

4-(oxetan-3-yl)phenylboronic acid

CAS: 1417887-72-9

Formula: C9H11BO3

SMILES: OB(O)C1=CC=C(C=C1)C1COC1

IUPAC: [4-(oxetan-3-yl)phenyl]boronic acid

InChI: InChI=1S/C9H11BO3/c11-10(12)9-3-1-7(2-4-9)8-5-13-6-8/h1-4,8,11-12H,5-6H2

Composition: C (60.73%), H (6.23%), B (6.07%), O (26.97%)

Molar Mass: 177.99

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.080124
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZGYRTZYOUMVFDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.97
Topological Polar Surface Area	49.69
Polarizability	18.94
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1417887-72-9		$172.04-$787.27$172.04$292.66$489.94$787.27

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95%	<5 Days	1417887-72-9		$282.46-$436.31$282.46$436.31