Basic information
- CAS
10530-56-0- Standard SMILES
Nc1cccc(Cl)c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
YKCJAUZJWBZXOT-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4O7
- Average molar mass
- 356.67 g/mol
- Monoisotopic mass
- 356.0159763
Names & identifiers
- Preferred name
- 3-Chloroaniline;2,4,6-trinitrophenol
- IUPAC
- 3-chloroaniline;2,4,6-trinitrophenol
Names & synonyms
NSC40567710530-56-0DTXSID50324081NSC-4056772,4,6-Trinitrophenol--3-chloroaniline (1/1)
Database identifiers
- CAS
10530-56-0- PubChem CID
- 347167
- DTXSID
DTXSID50324081
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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