Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc2ccc(C#N)cc2c1Br- InChIKey
VFVRXSZJWQJBIB-UHFFFAOYSA-N- Molecular formula
- C16H15BrN2O2
- Average molar mass
- 347.21 g/mol
- Monoisotopic mass
- 346.03169
Names & identifiers
- Preferred name
- Tert-butyl 1-bromo-7-cyano-2-naphthylcarbamate
- IUPAC
- tert-butyl N-(1-bromo-7-cyanonaphthalen-2-yl)carbamate
Names & synonyms
SCHEMBL3565771VFVRXSZJWQJBIB-UHFFFAOYSA-Ntert-butyl 1-bromo-7-cyano-2-naphthylcarbamate
Database identifiers
- PubChem CID
- 44549922
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 437
Related reactions
4 records
Compound notes
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