chempirical

2-Chloro-5-nitrophenylboronic acid

C6H5BClNO4CAS 867333-29-7201.37 g/mol

Open in Covalent MOL file
BN+OO−ClHOHO
Aryl halideBoronic acidNitro

Properties

Molecular formula
C6H5BClNO4
Molar mass
201.37 g/mol
Exact mass
201.0000 Da
logP
-0.07Crippen estimate
Polar surface area
83.6 Ų
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
867333-29-7
SMILES
B(C1=C(C=CC(=C1)[N+](=O)[O-])Cl)(O)O
InChIKey
KNFHCUNPMBSLRK-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H

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Names and synonyms

1 names
  • (2-Chloro-5-nitrophenyl)boronic acid

Work with 2-Chloro-5-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

(2-Methyl-5-nitrophenyl)boronic acid100960-11-063 % similar (2-Fluoro-5-nitrophenyl)boronic acid819849-20-263 % similar 1,2-Dichloro-4-nitrobenzene99-54-762 % similar 2-Chloro-5-nitrophenol619-10-359 % similar 2,4-Dinitrochlorobenzene97-00-758 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-955 % similar 3-Nitrophenylboronic acid13331-27-655 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-455 % similar

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

Same formula

(4-Chloro-3-nitrophenyl)boronic acid151169-67-4

Elsewhere

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