2-Bromo-4-fluoro-5-nitrophenol

C6H3BrFNO3CAS 84478-87-5236.00 g/mol

Open in Covalent MOL file
HOBrFN+OO−
Aryl halideNitroPhenol

Properties

Molecular formula
C6H3BrFNO3
Molar mass
236.00 g/mol
Exact mass
234.9280 Da
logP
2.20Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
84478-87-5
SMILES
C1=C(C(=CC(=C1O)Br)F)[N+](=O)[O-]
InChIKey
NVNFKCCUJKPLLT-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrFNO3/c7-3-1-4(8)5(9(11)12)2-6(3)10/h1-2,10H

Weigh it out

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Work with 2-Bromo-4-fluoro-5-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-Difluoro-5-nitrophenol113512-57-571 % similar 4-Bromo-2,5-difluoronitrobenzene167415-27-271 % similar 2-Chloro-4-fluoro-5-nitrophenol84478-75-168 % similar 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-466 % similar 1-Bromo-5-fluoro-2-methyl-4-nitrobenzene64695-96-163 % similar 1,4-Dibromo-2-fluoro-5-nitrobenzene366496-33-561 % similar 2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-659 % similar 3,4-Difluoro-6-nitrophenol55346-97-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-fluoro-6-nitrophenol320-76-3

Elsewhere

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