chempirical

5-Bromoisatoic anhydride

C8H4BrNO3CAS 4692-98-2242.03 g/mol

Open in Covalent MOL file
BrOOONH
Aryl halide

Properties

Molecular formula
C8H4BrNO3
Molar mass
242.03 g/mol
Exact mass
240.9375 Da
logP
1.24Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
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
4692-98-2
SMILES
C1=CC2=C(C=C1Br)C(=O)OC(=O)N2
InChIKey
DXSMYDSFWCOSFM-UHFFFAOYSA-N
InChI
InChI=1S/C8H4BrNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)

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Work with 5-Bromoisatoic anhydride

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-Hydroxy isatoic anhydride195986-91-567 % similar 5-Aminoisatoic anhydride169037-24-562 % similar 5-Fluoroisatonic anhydride321-69-762 % similar 3,6-Dibromocarbazole6825-20-353 % similar 4-Chloroisatoic anhydride40928-13-050 % similar 6,7-Dimethoxy-2H-3,1-benzoxazine-2,4(1H)-dione20197-92-649 % similar 6-Bromo-2,4(1H,3H)-quinazolinedione88145-89-549 % similar 4-Carboxylic-isatoic anhydride77423-14-448 % similar

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

Elsewhere

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