Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(C[N+](=O)[O-])c1ccccc1Cl- InChIKey
RVHSVKWEDUCUJL-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O4
- Average molar mass
- 300.74 g/mol
Names & identifiers
- Preferred name
- tert-Butyl [1-(2-chlorophenyl)-2-nitroethyl]carbamate
- IUPAC
- tert-butyl N-[1-(2-chlorophenyl)-2-nitroethyl]carbamate
Names & synonyms
SCHEMBL10217090RVHSVKWEDUCUJL-UHFFFAOYSA-Ntert-Butyl [1-(2-chlorophenyl)-2-nitroethyl]carbamate
Database identifiers
- PubChem CID
- 59536890
- Nikkaji
- J2.690.779I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Related reactions
4 records
Compound notes
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