2,4-difluoro-5-nitrophenylboronic acid

2,4-difluoro-5-nitrophenylboronic acid

CAS: 325786-11-6

Formula: C6H4BF2NO4

SMILES: OB(O)C1=C(F)C=C(F)C(=C1)[N+]([O-])=O

IUPAC: (2,4-difluoro-5-nitrophenyl)boronic acid

InChI: InChI=1S/C6H4BF2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2,11-12H

Composition: C (35.52%), H (1.99%), B (5.33%), F (18.73%), N (6.90%), O (31.54%)

Molar Mass: 202.91

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	203.020144
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PSPLUVTUISDWMW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.36
Topological Polar Surface Area	83.6
Polarizability	15.17
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	325786-11-6		$51.35-$86.31$51.35$63.37$86.31