Basic information
- Standard SMILES
O=C(Nc1cc(Cl)c(O)cc1[N+](=O)[O-])OCCCl- InChIKey
XFPSMLNCYATWIR-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2N2O5
- Average molar mass
- 295.07 g/mol
Names & identifiers
- Preferred name
- beta-chloroethyl N-(5-chloro-4-hydroxy-2-nitrophenyl)-carbamate
- IUPAC
- 2-chloroethyl N-(5-chloro-4-hydroxy-2-nitrophenyl)carbamate
Names & synonyms
SCHEMBL10890127XFPSMLNCYATWIR-UHFFFAOYSA-Nbeta-chloroethyl N-(5-chloro-4-hydroxy-2-nitrophenyl)-carbamate
Database identifiers
- PubChem CID
- 20244604
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
1 records
Compound notes
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