chempirical

4-Methoxy-3-nitrophenylboronic acid

C7H8BNO5CAS 827614-67-5196.95 g/mol

Open in Covalent MOL file
BON+OO−HOHO
Boronic acidEtherNitro

Properties

Molecular formula
C7H8BNO5
Molar mass
196.95 g/mol
Exact mass
197.0496 Da
logP
-0.72Crippen estimate
Polar surface area
92.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

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
827614-67-5
SMILES
B(C1=CC(=C(C=C1)OC)[N+](=O)[O-])(O)O
InChIKey
HAQVJQNWHRUPBH-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BNO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4,10-11H,1H3

Weigh it out

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Work with 4-Methoxy-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-Methoxy-3-nitrophenol15174-02-463 % similar 4-Methyl-3-nitrobenzeneboronic acid80500-27-263 % similar 4-Amino-3-nitrophenylboronic acid89466-07-963 % similar 2,4-Dinitroanisole119-27-762 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-462 % similar 1-Methoxy-4-methyl-2-nitrobenzene119-10-860 % similar 4-Fluoro-2-nitroanisole445-83-060 % similar (4-Chloro-3-nitrophenyl)boronic acid151169-67-459 % similar

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

Elsewhere

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