N-(2-Chloroethyldiazenyl)-4-nitro-aniline
Basic information
- CAS
78604-31-6- Standard SMILES
O=[N+]([O-])c1ccc(NN=NCCCl)cc1- InChIKey
BTGNUWUGMKPDQE-UHFFFAOYSA-N- Molecular formula
- C8H9ClN4O2
- Average molar mass
- 228.63 g/mol
- Monoisotopic mass
- 228.0414032
Names & identifiers
- Preferred name
- N-(2-Chloroethyldiazenyl)-4-nitro-aniline
- IUPAC
- N-(2-chloroethyldiazenyl)-4-nitroaniline
Names & synonyms
N-(2-CHLOROETHYLDIAZENYL)-4-NITRO-ANILINE78604-31-6DTXSID30316505RefChem:360602DTXCID70267628NSC303844NSC-303844DS-011533(1E)-1-(2-Chloroethyl)-3-(4-nitrophenyl)triaz-1-ene
Database identifiers
- CAS
78604-31-6- PubChem CID
- 327730
- DTXSID
DTXSID30316505
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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