chempirical

2-Bromo-6-nitrophenol

C6H4BrNO3CAS 13073-25-1218.01 g/mol

Open in Covalent MOL file
BrOHN+OO−
Aryl halideNitroPhenol

Properties

Molecular formula
C6H4BrNO3
Molar mass
218.01 g/mol
Exact mass
216.9375 Da
logP
2.06Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
13073-25-1
SMILES
C1=CC(=C(C(=C1)Br)O)[N+](=O)[O-]
InChIKey
VEJSIOPQKQXJAT-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H

Weigh it out

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

Work with 2-Bromo-6-nitrophenol

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

2,6-Dinitrophenol573-56-875 % similar 2-Chloro-6-nitrophenol603-86-164 % similar 1-Bromo-2-nitrobenzene577-19-563 % similar 2-Methyl-6-nitrophenol13073-29-562 % similar 2-Fluoro-6-nitrophenol1526-17-662 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-461 % similar 2-Bromo-6-nitrotoluene55289-35-559 % similar 2-Bromo-6-nitrobenzenamine59255-95-759 % similar

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

Same formula

5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-4 2-Bromo-4-nitrophenol5847-59-6 4-Bromo-2-nitrophenol7693-52-9

Elsewhere

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