chempirical

2-Hydroxy-5-nitrobenzyl bromide

C7H6BrNO3CAS 772-33-8232.03 g/mol

Open in Covalent MOL file
ON+O−OHBr
Alkyl halideNitroPhenol

Properties

Molecular formula
C7H6BrNO3
Molar mass
232.03 g/mol
Exact mass
230.9531 Da
logP
2.20Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
772-33-8
SMILES
O=[N+]([O-])c1ccc(O)c(CBr)c1
InChIKey
KFDPCYZHENQOBV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2

Weigh it out

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

Names and synonyms

7 names
  • Phenol, 2-(bromomethyl)-4-nitro-
  • o-Cresol, α-bromo-4-nitro-
  • 2-(Bromomethyl)-4-nitrophenol
  • Koshland reagent No. 1
  • Koshland reagent 1
  • Koshland reagent number 1
  • NSC 89704

Work with 2-Hydroxy-5-nitrobenzyl bromide

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-Nitrocatechol3316-09-462 % similar 2-Bromo-4-nitrophenol5847-59-659 % similar Nitrofungin619-08-959 % similar 2,4-Dinitrophenol51-28-558 % similar 2-Methyl-4-nitrophenol99-53-657 % similar 2-Amino-4-nitrophenol99-57-055 % similar 2,5-Dinitrophenol329-71-554 % similar 4-Nitrobenzyl bromide100-11-853 % similar

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

Same formula

4-Bromo-2-methoxy-1-nitrobenzene103966-66-1 Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate120034-05-1 4-Bromo-3,5-dihydroxybenzamide13429-12-4 1-Bromo-3-methoxy-5-nitrobenzene16618-67-0 4-Bromo-1-methoxy-2-nitrobenzene33696-00-3 2-Bromo-1-methoxy-4-nitrobenzene5197-28-4 1-Bromo-4-methoxy-2-nitrobenzene5344-78-5 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-4

Elsewhere

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