5-Bromo-2-nitrophenol

C6H4BrNO3CAS 27684-84-0218.01 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
27684-84-0
SMILES
C1=CC(=C(C=C1Br)O)[N+](=O)[O-]
InChIKey
DTWHNSNSUBKGTC-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H

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Names and synonyms

1 names
  • Phenol, 5-bromo-2-nitro-

Work with 5-Bromo-2-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

4-Bromo-1,2-dinitrobenzene610-38-868 % similar 2,5-Dinitrophenol329-71-564 % similar 2,4-Dibromonitrobenzene51686-78-364 % similar 3-Hydroxy-4-nitrobenzaldehyde704-13-263 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-360 % similar 5-Fluoro-2-nitrophenol446-36-660 % similar 5-Methyl-2-nitrophenol700-38-960 % similar 5-Bromo-2-nitrobenzotrifluoride344-38-759 % 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-6-nitrophenol13073-25-1 5-Bromo-6-hydroxynicotinic acid41668-13-7 3-Bromo-4-nitrophenol5470-65-5 2-Bromo-4-nitrophenol5847-59-6 4-Bromo-2-nitrophenol7693-52-9

Elsewhere

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