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

C8H6BrNO2CAS 24036-52-0228.04 g/mol

Open in Covalent MOL file
ONHOBr
AmideAryl halideEtherLactam

Properties

Molecular formula
C8H6BrNO2
Molar mass
228.04 g/mol
Exact mass
226.9582 Da
logP
1.78Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
24036-52-0
SMILES
C1C(=O)NC2=C(O1)C=CC(=C2)Br
InChIKey
UQCFMEFQBSYDHY-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrNO2/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-Bromo-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-Chloro-2H-1,4-benzoxazin-3(4H)-one7652-29-165 % similar 6-Bromo-1,3-dihydro-2H-indol-2-one99365-40-957 % similar 5-Bromo-2-oxindole20870-78-453 % similar 6-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine105655-01-451 % similar 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-150 % similar 6-Bromo-1-benzofuran-3(2H)-one201809-69-047 % similar 2,4-Dibromophenoxyacetic acid10129-78-945 % similar 6-Bromo-2,3-dihydro-4H-chromen-4-one49660-57-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one1017783-09-3

Elsewhere

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