chempirical

Bis(2,4-dichlorophenyl) chlorophosphate

C12H6Cl5O3PCAS 14254-41-2406.40 g/mol

Open in Covalent MOL file
ClClOPOOClClCl
Aryl halide

Properties

Molecular formula
C12H6Cl5O3P
Molar mass
406.40 g/mol
Exact mass
403.8497 Da
logP
7.10Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
14254-41-2
SMILES
C1=CC(=C(C=C1Cl)Cl)OP(=O)(OC2=C(C=C(C=C2)Cl)Cl)Cl
InChIKey
RHQSBXZVIMBYKW-UHFFFAOYSA-N
InChI
InChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H

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Work with Bis(2,4-dichlorophenyl) chlorophosphate

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

2,4-Dichloroanisole553-82-255 % similar Dichlofenthion97-17-648 % similar Genite97-16-546 % similar 1,3-Dichloro-4-(trifluoromethoxy)benzene451-85-446 % similar Triclosan3380-34-545 % similar 2-(2,4-Dichlorophenoxy)ethanol120-67-244 % similar 4-(2,4-Dichlorophenoxy)aniline14861-17-744 % similar o-Chlorophenyl dichlorophosphate15074-54-143 % similar

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

Elsewhere

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