3-Bromo-4-nitrophenol

C6H4BrNO3CAS 5470-65-5218.01 g/mol

Open in Covalent MOL file
HOBrN+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

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5470-65-5
SMILES
C1=CC(=C(C=C1O)Br)[N+](=O)[O-]
InChIKey
SZYVPWPBRABKAB-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H

Weigh it out

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

Work with 3-Bromo-4-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

2,4-Dibromonitrobenzene51686-78-369 % similar 3-Methyl-4-nitrophenol2581-34-260 % similar 3-Fluoro-4-nitrophenol394-41-260 % similar 2-Bromo-4-fluoro-1-nitrobenzene700-36-760 % similar 1,3-Dibromo-4,6-dinitrobenzene24239-82-558 % similar 5-Hydroxy-2-nitrobenzaldehyde42454-06-857 % similar 3-Bromo-4-nitrobenzoic acid101420-81-956 % similar 1-Bromo-2-nitrobenzene577-19-556 % 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-2-nitrophenol27684-84-0 5-Bromo-6-hydroxynicotinic acid41668-13-7 2-Bromo-4-nitrophenol5847-59-6 4-Bromo-2-nitrophenol7693-52-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook