chempirical

Triflumuron

C15H10ClF3N2O3CAS 64628-44-0358.70 g/mol

Open in Covalent MOL file
ONHOClNHOFFF
Alkyl halideAryl halideEther

Properties

Molecular formula
C15H10ClF3N2O3
Molar mass
358.70 g/mol
Exact mass
358.0332 Da
Melting point
195 °C
logP
4.78Crippen estimate
Polar surface area
70.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
64628-44-0
SMILES
O=C(N=C(O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1
InChIKey
XAIPTRIXGHTTNT-UHFFFAOYSA-N
InChI
InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)

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Names and synonyms

14 names · show all
  • Benzamide, 2-chloro-N-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-
  • 2-Chloro-N-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]benzamide
  • BAY-SIR 8514
  • SIR 8514
  • N-(2-Chlorobenzoyl)-N′-[4-(trifluoromethoxy)phenyl]urea
  • Trifluron
  • BAY-Vi 7533
  • Alsystin
  • Alsystine
  • OMS 2015
  • Starycide
  • Baycidal
  • 1-(2-Chlorobenzoyl)-3-[4-(trifluoromethoxy)phenyl]urea
  • Baytsidal

Work with Triflumuron

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

Diflubenzuron35367-38-545 % similar 2-Chlorobenzoic acid hydrazide5814-05-138 % similar 4-(Trifluoromethoxy)benzoic acid330-12-138 % similar Metaflumizone139968-49-337 % similar 2-(Trifluoromethoxy)benzoic hydrazide175277-19-737 % similar 5-Trifluoromethoxysalicylic acid129644-57-136 % similar 4-(Trifluoromethoxy)phenylhydrazine hydrochloride133115-72-736 % similar 4-Trifluoromethoxybenzoyl chloride36823-88-835 % similar

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

Elsewhere

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