chempirical

Leptophos

C13H10BrCl2O2PSCAS 21609-90-5412.06 g/mol

Open in Covalent MOL file
OPSOClBrCl
Aryl halide

Properties

Molecular formula
C13H10BrCl2O2PS
Molar mass
412.06 g/mol
Exact mass
409.8700 Da
Density
1.53 g/mL (at 25 °C)
Melting point
70.2–70.6 °C
logP
5.42Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
21609-90-5
SMILES
COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1
InChIKey
CVRALZAYCYJELZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Phosphonothioic acid, P-phenyl-, O-(4-bromo-2,5-dichlorophenyl) O-methyl ester
  • Phosphonothioic acid, phenyl-, O-(4-bromo-2,5-dichlorophenyl) O-methyl ester
  • O-(4-Bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate
  • VCS 506
  • Velsicol VCS 506
  • Velsicol 506
  • Phosvel
  • K62-105
  • Fosvel
  • NK 711
  • Abar
  • Oleophosvel
  • MBCP
  • (±)-Leptophos

Work with Leptophos

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

Bromophos2104-96-362 % similar Bromophos-ethyl4824-78-649 % similar Fenchlorphos299-84-343 % similar 3-Bromo-4-chloroanisole2732-80-135 % similar 1-Bromo-2-chloro-4-methoxybenzene50638-46-535 % similar Dicapthon2463-84-533 % similar Trichloronate327-98-033 % similar Chlorpyrifos-methyl5598-13-033 % similar

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

Elsewhere

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