chempirical

2-Bromo-6-nitrotoluene

C7H6BrNO2CAS 55289-35-5216.03 g/mol

Open in Covalent MOL file
BrN+OO−
Aryl halideNitro

Properties

Molecular formula
C7H6BrNO2
Molar mass
216.03 g/mol
Exact mass
214.9582 Da
Melting point
38 °C
Boiling point
142–147 °C (at 30 Torr)
logP
2.67Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
55289-35-5
SMILES
Cc1c(Br)cccc1[N+](=O)[O-]
InChIKey
LYTNSGFSAXWBCA-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1-bromo-2-methyl-3-nitro-
  • Toluene, 2-bromo-6-nitro-
  • 1-Bromo-2-methyl-3-nitrobenzene
  • 6-Bromo-2-nitrotoluene
  • 2-Methyl-1-bromo-3-nitrobenzene
  • 2-Nitro-6-bromotoluene

Work with 2-Bromo-6-nitrotoluene

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-Dinitrotoluene606-20-275 % similar 3-Nitro-O-xylene83-41-068 % similar 2-Methyl-3-nitroaniline603-83-864 % similar 1-Chloro-2-methyl-3-nitrobenzene83-42-164 % similar 1-Bromo-2-nitrobenzene577-19-563 % similar 2-Methyl-3-nitrophenol5460-31-162 % similar 1-Fluoro-2-methyl-3-nitrobenzene769-10-862 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-461 % similar

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

Same formula

4-Nitrobenzyl bromide100-11-8 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-3 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7 3-Amino-4-bromobenzoic acid2840-29-1 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-3 3-Nitrobenzyl bromide3958-57-4

Elsewhere

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