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

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)

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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

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

Elsewhere

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