6-Chloro-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene

C₁₀H₅ClN₂OCAS 39876-88-5204.61 g/mol

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Properties

Molecular formula: C₁₀H₅ClN₂O
Molar mass: 204.61 g/mol
Exact mass: 204.0090 Da
logP: 3.03Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

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

39876-88-5

SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)Cl

InChIKey

ABRHSRPOYMSBOI-UHFFFAOYSA-N

InChI

InChI=1S/C10H5ClN2O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H

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Names and synonyms

1 names

4-Chloro-benzo[4,5]furo[3,2-D]pyrimidine

Work with 6-Chloro-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene

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

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

Elsewhere

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