N-(2-Bromobenzyloxycarbonyloxy)succinimide

C₁₂H₁₀BrNO₅CAS 128611-93-8328.12 g/mol

Open in Covalent MOL file

Amide Aryl halide Carbonate Lactam

Properties

Molecular formula: C₁₂H₁₀BrNO₅
Molar mass: 328.12 g/mol
Exact mass: 326.9742 Da
logP: 2.17Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H317 May cause an allergic skin reaction80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

128611-93-8

SMILES

C1CC(=O)N(C1=O)OC(=O)OCC2=CC=CC=C2Br

InChIKey

SZDNRTVADOCWKU-UHFFFAOYSA-N

InChI

InChI=1S/C12H10BrNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2

Weigh it out

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Work with N-(2-Bromobenzyloxycarbonyloxy)succinimide

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

N-(2-Chlorobenzyloxycarbonyloxy)succinimide65853-65-868 % similar N-(Benzyloxycarbonyloxy)succinimide13139-17-864 % similar N-(9-Fluorenylmethoxycarbonyloxy)succinimide82911-69-150 % similar Di(succinimido) carbonate74124-79-146 % similar N-(Allyloxycarbonyloxy)succinimide135544-68-243 % similar 2,5-Dioxopyrrolidin-1-yl benzoate23405-15-443 % similar N-(2,2,2-Trichloroethoxycarbonyloxy)succinimide66065-85-842 % similar 3-(2-Bromo-phenyl)-propionic acid ethyl ester135613-33-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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