2,2,2-trichloro-1-N,1-N'-bis(3-nitrophenyl)ethane-1,1-diamine
Basic information
- CAS
39809-81-9- Standard SMILES
O=[N+]([O-])c1cccc(NC(Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1- InChIKey
DJLVKUWYCSXXAI-UHFFFAOYSA-N- Molecular formula
- C14H11Cl3N4O4
- Average molar mass
- 405.6 g/mol
- Monoisotopic mass
- 403.984588
Names & identifiers
- Preferred name
- 2,2,2-trichloro-1-N,1-N'-bis(3-nitrophenyl)ethane-1,1-diamine
- IUPAC
- 2,2,2-trichloro-1-N,1-N'-bis(3-nitrophenyl)ethane-1,1-diamine
Names & synonyms
39809-81-9NSC5079702,2,2-trichloro-1-N,1-N'-bis(3-nitrophenyl)ethane-1,1-diamineDTXSID90325451NSC-5079702,2,2-trichloro-N(1),N(1)-bis(3-nitrophenyl)-1,1-ethanediamine2,2,2-Trichloro-N~1~,N'~1~-bis(3-nitrophenyl)ethane-1,1-diamine
Database identifiers
- CAS
39809-81-9- PubChem CID
- 350158
- DTXSID
DTXSID90325451
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 444
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Compound notes
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