2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one

C₁₃H₈ClNO₂CAS 3158-91-6245.66 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₃H₈ClNO₂
Molar mass: 245.66 g/mol
Exact mass: 245.0244 Da
Melting point: 242–244 °C
logP: 4.08Crippen estimate
Polar surface area: 41.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H336 May cause drowsiness or dizziness20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P271, P304+P340, P319, P403+P233, P405, P501

Identifiers

CAS number

3158-91-6

SMILES

OC1=Nc2ccccc2Oc2ccc(Cl)cc21

InChIKey

ZAGINEPNYIZLLO-UHFFFAOYSA-N

InChI

InChI=1S/C13H8ClNO2/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)

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Names and synonyms

1 names

Dibenz[b,f][1,4]oxazepin-11(10H)-one, 2-chloro-

Work with 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one

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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