tert-Butyl N-(4-bromophenyl)-carbamate

C₁₁H₁₄BrNO₂CAS 131818-17-2272.14 g/mol

Open in Covalent MOL file

Aryl halide Carbamate

Properties

Molecular formula: C₁₁H₁₄BrNO₂
Molar mass: 272.14 g/mol
Exact mass: 271.0208 Da
logP: 3.80Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

131818-17-2

SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)Br

InChIKey

VLGPDTPSKUUHKR-UHFFFAOYSA-N

InChI

InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)

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Names and synonyms

1 names

4-Bromoaniline, N-BOC protected

Work with tert-Butyl N-(4-bromophenyl)-carbamate

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

(4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-271 % similar t-Butyl carbanilate3422-01-368 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-967 % similar 4-(Boc-amino)pyridine98400-69-264 % similar 2-(Boc-amino)-5-bromopyridine159451-66-863 % similar tert-Butyl N-(4-(aminomethyl)phenyl)carbamate220298-96-462 % similar (4-Boc-aminophenyl)boronic acid380430-49-962 % similar Boc-4-abz-oh66493-39-862 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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