Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(-c2ccsc2)cc1[N+](=O)[O-]- InChIKey
GIYRNCSJYRVTMP-UHFFFAOYSA-N- Molecular formula
- C15H16N2O4S
- Average molar mass
- 320.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-nitro-4-thien-3-ylphenylcarbamate
- IUPAC
- tert-butyl N-(2-nitro-4-thiophen-3-ylphenyl)carbamate
Names & synonyms
SCHEMBL979204SCHEMBL30474835GIYRNCSJYRVTMP-UHFFFAOYSA-Ntert-butyl 2-nitro-4-thien-3-ylphenylcarbamate(2-Nitro-4-thiophen-3-yl-phenyl)-carbamic acid tert.-butyl ester
Database identifiers
- PubChem CID
- 66865115
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
11 records
Compound notes
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