(4-Chloro-3-nitrophenyl)boronic acid

C₆H₅BClNO₄CAS 151169-67-4201.37 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Nitro

Properties

Molecular formula: C₆H₅BClNO₄
Molar mass: 201.37 g/mol
Exact mass: 201.0000 Da
logP: -0.07Crippen estimate
Polar surface area: 83.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

151169-67-4

SMILES

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

InChIKey

LQCCRPUZTXKDGB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Chloro-3-nitrophenylboronic acid

Work with (4-Chloro-3-nitrophenyl)boronic 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

B-(4-Fluoro-3-nitrophenyl)boronic acid352530-22-463 % similar 4-Chloro-3-nitrophenol610-78-659 % similar 1,4-Dichloro-2-nitrobenzene89-61-258 % similar 2,4-Dinitrochlorobenzene97-00-758 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-557 % similar 3-Nitrophenylboronic acid13331-27-655 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-255 % similar 4-Chloro-3-nitroaniline635-22-355 % similar

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

Elsewhere

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