chempirical

Metobromuron

C9H11BrN2O2CAS 3060-89-7259.10 g/mol

Open in Covalent MOL file
ONOHNBr
Aryl halideUrea

Properties

Molecular formula
C9H11BrN2O2
Molar mass
259.10 g/mol
Exact mass
258.0004 Da
Melting point
95–96 °C
logP
2.47Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
3060-89-7
SMILES
CON(C)C(=O)Nc1ccc(Br)cc1
InChIKey
WLFDQEVORAMCIM-UHFFFAOYSA-N
InChI
InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

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Names and synonyms

17 names · show all
  • 1-(p-Bromophenyl)-3-methoxy-3-methylurea
  • 3-(p-Bromophenyl)-1-methoxy-1-methylurea
  • 1-Methoxy-1-methyl-3-(4-bromophenyl)urea
  • Monobromuron
  • 3-(4-Bromophenyl)-1-methoxy-1-methylurea
  • Urea, N′-(4-bromophenyl)-N-methoxy-N-methyl-
  • Urea, 3-(p-bromophenyl)-1-methoxy-1-methyl-
  • N′-(4-Bromophenyl)-N-methoxy-N-methylurea
  • C 3126
  • N-(4-Bromophenyl)-N′-methyl-N′-methoxyurea
  • 3-(4-Bromophenyl)-1-methyl-1-methoxyurea
  • Patoran
  • N-(p-Bromophenyl)-N′-methyl-N′-methoxyurea
  • 1-Methoxy-1-methyl-3-(p-bromophenyl)urea
  • Metbromuron
  • 3-(p-Bromophenyl)-1-methyl-1-methoxyurea
  • N-(4-Bromophenyl)-N′-methoxy-N′-methylurea

Work with Metobromuron

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

Monolinuron1746-81-268 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-244 % similar 3-(4-Chlorophenyl)-1,1-dimethylurea150-68-540 % similar N-(4-Bromophenyl)-2-chloroacetamide2564-02-540 % similar Isoproturon34123-59-639 % similar 3,4′,5-Tribromosalicylanilide87-10-537 % similar N-(4-Bromophenyl)thiourea2646-30-237 % similar Methyl 4-bromobenzoate619-42-137 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook