4-[(4-fluorophenyl)sulfamoyl]phenylboronic acid

4-[(4-fluorophenyl)sulfamoyl]phenylboronic acid

CAS: 957121-13-0

Formula: C12H11BFNO4S

SMILES: OB(O)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(F)C=C1

IUPAC: {4-[(4-fluorophenyl)sulfamoyl]phenyl}boronic acid

InChI: InChI=1S/C12H11BFNO4S/c14-10-3-5-11(6-4-10)15-20(18,19)12-7-1-9(2-8-12)13(16)17/h1-8,15-17H

Composition: C (48.84%), H (3.76%), B (3.66%), F (6.44%), N (4.75%), O (21.69%), S (10.86%)

Molar Mass: 295.09

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	295.048587
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	MFWQIJUPTCPQPU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.65
Topological Polar Surface Area	86.63
Polarizability	28.13
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	957121-13-0		$35.31-$218.15$35.31$85.75$218.15