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

C8H6ClNO2CAS 7652-29-1183.59 g/mol

Open in Covalent MOL file
ONHOCl
AmideAryl halideEtherLactam

Properties

Molecular formula
C8H6ClNO2
Molar mass
183.59 g/mol
Exact mass
183.0087 Da
logP
1.67Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
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)

Weigh it out

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

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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