4-Nitrophenylboronic acid

C₆H₆BNO₄CAS 24067-17-2166.93 g/mol

Open in Covalent MOL file

Boronic acid Nitro

Properties

Molecular formula: C₆H₆BNO₄
Molar mass: 166.93 g/mol
Exact mass: 167.0390 Da
logP: -0.73Crippen estimate
Polar surface area: 83.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

24067-17-2

SMILES

B(C1=CC=C(C=C1)[N+](=O)[O-])(O)O

InChIKey

NSFJAFZHYOAMHL-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Nitrophenylboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dinitrobenzene100-25-463 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-156 % similar 4-Nitrophenol100-02-755 % similar (2-Methyl-5-nitrophenyl)boronic acid100960-11-053 % similar (4-Chloro-3-nitrophenyl)boronic acid151169-67-453 % similar B-(4-Fluoro-3-nitrophenyl)boronic acid352530-22-453 % similar 1,2-Bis(4-nitrophenyl)ethane736-30-152 % similar 4-Nitrochlorobenzene100-00-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Nitrophenylboronic acid13331-27-6 2-Nitrophenylboronic acid5570-19-4

Elsewhere

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