4-fluoro-3-(pyrrolidine-1-carbonyl)phenylboronic acid

4-fluoro-3-(pyrrolidine-1-carbonyl)phenylboronic acid

CAS: 874219-31-5

Formula: C11H13BFNO3

SMILES: OB(O)C1=CC=C(F)C(=C1)C(=O)N1CCCC1

IUPAC: [4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid

InChI: InChI=1S/C11H13BFNO3/c13-10-4-3-8(12(16)17)7-9(10)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2

Composition: C (55.74%), H (5.53%), B (4.56%), F (8.01%), N (5.91%), O (20.25%)

Molar Mass: 237.04

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.097251
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	AOICJNUBSAKHMW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.23
Topological Polar Surface Area	60.77
Polarizability	22.73
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	874219-31-5		$125.24-$1,157.13$125.24$297.05$1,157.13