6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one

C₈H₆BrNO₂CAS 1017783-09-3228.04 g/mol

Open in Covalent MOL file

Aryl halide Carbamate

Properties

Molecular formula: C₈H₆BrNO₂
Molar mass: 228.04 g/mol
Exact mass: 226.9582 Da
logP: 2.51Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

1017783-09-3

SMILES

C1C2=C(C=CC(=C2)Br)NC(=O)O1

InChIKey

SSTOTANBGDRSRF-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrNO2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11)

Weigh it out

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Work with 6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-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

5-Bromo-2-oxindole20870-78-455 % similar 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-153 % similar 5-Bromophthalide64169-34-251 % similar 6-Bromo-3 H-isobenzofuran-1-one19477-73-748 % similar 6-Bromo-1,3-dihydro-2H-indol-2-one99365-40-944 % similar 5-Bromoindoline22190-33-641 % similar 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester511230-72-141 % similar 6-Bromo-2-tetralone4133-35-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-2H-1,4-benzoxazin-3(4H)-one24036-52-0

Elsewhere

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