chempirical

N-Tosyl-4-chloro-3-iodo-7-azaindole

C14H10ClIN2O2SCAS 869335-20-6432.66 g/mol

Open in Covalent MOL file
SOONNClI
Aryl halide

Properties

Molecular formula
C14H10ClIN2O2S
Molar mass
432.66 g/mol
Exact mass
431.9196 Da
logP
3.84Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
869335-20-6
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CN=C32)Cl)I
InChIKey
XCUCPOPYQXVOJN-UHFFFAOYSA-N
InChI
InChI=1S/C14H10ClIN2O2S/c1-9-2-4-10(5-3-9)21(19,20)18-8-12(16)13-11(15)6-7-17-14(13)18/h2-8H,1H3

Weigh it out

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

Work with N-Tosyl-4-chloro-3-iodo-7-azaindole

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

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

Elsewhere

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