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
- Formal charge
- 0
- Complexity
- 361
Related reactions
22 records
Compound notes
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