Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCOc1cccc([N+](=O)[O-])c1- InChIKey
KNSIPKLBEBFYOI-UHFFFAOYSA-N- Molecular formula
- C13H18N2O5
- Average molar mass
- 282.29 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (2-(3-nitrophenoxy)ethyl)carbamate
- IUPAC
- tert-butyl N-[2-(3-nitrophenoxy)ethyl]carbamate
Names & synonyms
tert-Butyl (2-(3-nitrophenoxy)ethyl)carbamate246240-09-5SCHEMBL5418888SCHEMBL29379386KNSIPKLBEBFYOI-UHFFFAOYSA-NDB-418273tert-Butyl 2-(3-nitrophenoxy)ethylcarbamatetert-Butyl(2-(3-nitrophenoxy)ethyl)carbamateA1-657043-[2-(tert.butyloxycarbonylamino)ethoxy]-nitrobenzeneN-[2-(3-nitrophenoxy)ethyl]Carbamic acid 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 21077618
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Related reactions
2 records
Compound notes
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