Tert-butyl (3-bromo-2-chloro-5-cyanophenyl)carbamate

HCID 86708481

Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1cc(C#N)cc(Br)c1Cl
InChIKey
LNIYMMILDVTMAL-UHFFFAOYSA-N
Molecular formula
C12H12BrClN2O2
Average molar mass
331.59 g/mol
Monoisotopic mass
329.97707

Names & identifiers

Preferred name
Tert-butyl (3-bromo-2-chloro-5-cyanophenyl)carbamate
IUPAC
tert-butyl N-(3-bromo-2-chloro-5-cyanophenyl)carbamate

Names & synonyms

tert-butyl (3-bromo-2-chloro-5-cyanophenyl)carbamate1541253-43-3SCHEMBL15409920LNIYMMILDVTMAL-UHFFFAOYSA-NDB-096987C93049tert-butyl 3-bromo-2-chloro-5-cyanophenylcarbamatetert-butyl(3-bromo-2-chloro-5-cyanophenyl)carbamate(+/-) Tert-butyl(3-bromo-2-chloro-5-cyanophenyl)carbamate(+/-) Tert-butyl (3-bromo-2-chloro-5-cyanophenyl)carbamate(+/-)-tert-butyl (3-bromo-2-chloro-5-cyanophenyl)carbamate

Database identifiers

PubChem CID
86708481

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
62.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Related reactions

22 records

Compound notes

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