5-Bromoisatoic anhydride

C₈H₄BrNO₃CAS 4692-98-2242.03 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H312 Harmful in contact with skin95.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled95.3% of notifiers
H335 May cause respiratory irritation97.7% of notifiers
H360 May damage fertility or the unborn child95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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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