chempirical

Sd-208

C17H10ClFN6CAS 627536-09-8352.76 g/mol

Open in Covalent MOL file
ClNNNNNHNF
Aryl halideSecondary amine

Properties

Molecular formula
C17H10ClFN6
Molar mass
352.76 g/mol
Exact mass
352.0640 Da
logP
4.02Crippen estimate
Polar surface area
76.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
3

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
627536-09-8
SMILES
C1=CC(=C(C=C1Cl)C2=NC3=NC=CN=C3C(=N2)NC4=CC=NC=C4)F
InChIKey
BERLXWPRSBJFHO-UHFFFAOYSA-N
InChI
InChI=1S/C17H10ClFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)

Weigh it out

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

Work with Sd-208

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

4-Chloro-1,2-difluorobenzene696-02-631 % similar 4-Chloro-1-fluoro-2-(trifluoromethyl)benzene89634-74-230 % similar 2,4-Dichlorofluorobenzene1435-48-930 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook