4-Amino-3-nitrophenylboronic acid

C₆H₇BN₂O₄CAS 89466-07-9181.94 g/mol

Open in Covalent MOL file

Boronic acid Nitro Primary amine

Properties

Molecular formula: C₆H₇BN₂O₄
Molar mass: 181.94 g/mol
Exact mass: 182.0499 Da
logP: -1.14Crippen estimate
Polar surface area: 109.6 Å²
H-bond donors / acceptors: 3 / 5
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

89466-07-9

SMILES

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

InChIKey

IRTXQNNJQZNKRP-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BN2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H,8H2

Weigh it out

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

Work with 4-Amino-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-Bromo-3-nitrophenylboronic acid74386-13-363 % similar 4-Methyl-3-nitrobenzeneboronic acid80500-27-263 % similar 4-Methoxy-3-nitrophenylboronic acid827614-67-563 % similar 4-Amino-3-nitrophenol610-81-159 % similar Nitro-p-phenylenediamine5307-14-258 % similar 2,4-Dinitroaniline97-02-958 % similar

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

Elsewhere

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