5-chloro-2-nitrophenylboronic acid

5-chloro-2-nitrophenylboronic acid

CAS: 532924-25-7

Formula: C6H5BClNO4

SMILES: OB(O)C1=CC(Cl)=CC=C1[N+]([O-])=O

IUPAC: (5-chloro-2-nitrophenyl)boronic acid

InChI: InChI=1S/C6H5BClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3,10-11H

Composition: C (35.79%), H (2.50%), B (5.37%), Cl (17.60%), N (6.96%), O (31.78%)

Molar Mass: 201.37

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.000015
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PURYLRLRXKALOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.73
Topological Polar Surface Area	83.6
Polarizability	17.43
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	532924-25-7		$39.09-$174.02$39.09$66.83$174.02