Basic information
- Standard SMILES
Nc1cc(Cl)c(NC(=O)OCCCCl)cc1[N+](=O)[O-]- InChIKey
IMYJYOIMKAWKGE-UHFFFAOYSA-N- Molecular formula
- C10H11Cl2N3O4
- Average molar mass
- 308.11 g/mol
- Monoisotopic mass
- 307.0126612
Names & identifiers
- IUPAC
- 3-chloropropyl N-(4-amino-2-chloro-5-nitrophenyl)carbamate
Database identifiers
- PubChem CID
- 14774571
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Related reactions
1 records
Compound notes
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