chempirical

1-Bromo-3-methoxy-5-nitrobenzene

C7H6BrNO3CAS 16618-67-0232.03 g/mol

Open in Covalent MOL file
OBrN+OO−
Aryl halideEtherNitro

Properties

Molecular formula
C7H6BrNO3
Molar mass
232.03 g/mol
Exact mass
230.9531 Da
Melting point
188 °C
logP
2.37Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
16618-67-0
SMILES
COc1cc(Br)cc([N+](=O)[O-])c1
InChIKey
MEQKSFQEPDRNEQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-bromo-3-methoxy-5-nitro-
  • Anisole, 3-bromo-5-nitro-
  • 3-Bromo-5-nitroanisole
  • 3-Methoxy-5-nitrophenyl bromide
  • 3-Bromo-5-methoxynitrobenzene

Work with 1-Bromo-3-methoxy-5-nitrobenzene

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

Same formula

4-Bromo-2-methoxy-1-nitrobenzene103966-66-1 4-Bromo-3,5-dihydroxybenzamide13429-12-4 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 2-Hydroxy-5-nitrobenzyl bromide772-33-8 1-Bromo-2-methoxy-4-nitrobenzene77337-82-7

Elsewhere

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