6-Chloro-2H-1,4-benzoxazin-3(4H)-one

C₈H₆ClNO₂CAS 7652-29-1183.59 g/mol

Open in Covalent MOL file

Amide Aryl halide Ether Lactam

Properties

Molecular formula: C₈H₆ClNO₂
Molar mass: 183.59 g/mol
Exact mass: 183.0087 Da
logP: 1.67Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
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

7652-29-1

SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)Cl

InChIKey

OBPIPKQQNRACHV-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)

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Work with 6-Chloro-2H-1,4-benzoxazin-3(4H)-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

Similar compounds

6-Bromo-2H-1,4-benzoxazin-3(4H)-one24036-52-065 % similar 2,4-Dichlorophenoxyacetic acid hydrazide28236-62-657 % similar 2-(4-Chloro-2-methylphenoxy)acetic acid hydrazide32022-38-155 % similar 5-Chlorooxindole17630-75-051 % similar 5-Chloro-benzofuran-3-one3261-05-051 % similar 7-Chloro-2H-1,4-benzothiazin-3(4H)-one5333-05-148 % similar 6-Chloro-benzofuran-3-one3260-78-448 % similar 2,4-Dichlorophenoxyacetic acid94-75-747 % similar

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

Same formula

1-(2-Chlorophenyl)-2-nitroethylene3156-34-1 4-Chloro-2-isocyanato-1-methoxybenzene55440-54-5 1-Chloro-4-(2-nitroethenyl)benzene706-07-0

Elsewhere

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