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

Open in Covalent MOL file
ONNCl
Aryl halide

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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