chempirical

Cgp 52432

C15H24Cl2NO4PCAS 139667-74-6384.23 g/mol

Open in Covalent MOL file
OOPONHClClOH
AcetalAryl halideEtherSecondary amine

Properties

Molecular formula
C15H24Cl2NO4P
Molar mass
384.23 g/mol
Exact mass
383.0820 Da
logP
4.10Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
11

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
139667-74-6
SMILES
CCOC(OCC)P(=O)(CCCNCC1=CC(=C(C=C1)Cl)Cl)O
InChIKey
GJZVQXWEIYRHBE-UHFFFAOYSA-N
InChI
InChI=1S/C15H24Cl2NO4P/c1-3-21-15(22-4-2)23(19,20)9-5-8-18-11-12-6-7-13(16)14(17)10-12/h6-7,10,15,18H,3-5,8-9,11H2,1-2H3,(H,19,20)

Weigh it out

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Work with Cgp 52432

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

(2S)-2-(((tert-Butoxy)carbonyl)amino)-3-(3,4-dichlorophenyl)propanoic acid80741-39-532 % similar 3,4-Dichlorobenzenemethanol1805-32-931 % similar Methyl 2-(3,4-dichlorophenyl)acetate6725-44-631 % similar 3,4-Dichlorophenylacetic acid5807-30-730 % similar 2-(3,4-Dichlorophenyl)ethanol35364-79-530 % similar

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

Elsewhere

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