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

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 tert-Butyl (4-aminophenyl)carbamate71026-66-967 % similar tert-Butyl [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]carbamate330793-01-659 % similar Boc-3-aminobenzoic acid111331-82-949 % similar tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate1094070-77-548 % similar Metobromuron3060-89-744 % similar (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-743 % similar N-(4-Bromophenyl)-2-chloroacetamide2564-02-543 % similar

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

Elsewhere

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