4-chloro-2-nitrophenylboronic acid

4-chloro-2-nitrophenylboronic acid

Formula: C6H5BClNO4

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

IUPAC: (4-chloro-2-nitrophenyl)boronic acid

InChI: InChI=1S/C6H5BClNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/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	ASHCGGVQMXSLCS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.73
Topological Polar Surface Area	83.6
Polarizability	17.44
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C6H5BClNO4		Quote Only