chempirical

4-Bromo-3-nitrophenylboronic acid

C6H5BBrNO4CAS 74386-13-3245.82 g/mol

Open in Covalent MOL file
BBrN+OO−HOHO
Aryl halideBoronic acidNitro

Properties

Molecular formula
C6H5BBrNO4
Molar mass
245.82 g/mol
Exact mass
244.9495 Da
logP
0.04Crippen 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
74386-13-3
SMILES
B(C1=CC(=C(C=C1)Br)[N+](=O)[O-])(O)O
InChIKey
ACFLUOVNZOLXAZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BBrNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H

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Work with 4-Bromo-3-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

(4-Chloro-3-nitrophenyl)boronic acid151169-67-463 % similar B-(4-Fluoro-3-nitrophenyl)boronic acid352530-22-463 % similar 4-Methyl-3-nitrobenzeneboronic acid80500-27-263 % similar 4-Amino-3-nitrophenylboronic acid89466-07-963 % similar 4-Methoxy-3-nitrophenylboronic acid827614-67-559 % similar 2,5-Dibromonitrobenzene3460-18-258 % similar 1-Bromo-2,4-dinitrobenzene584-48-558 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-357 % similar

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

Elsewhere

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