Basic information
- CAS
6350-14-7- Standard SMILES
C1CCC2CNCCC2C1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
MFLJCAVRXSUPKG-UHFFFAOYSA-N- Molecular formula
- C15H20N4O7
- Average molar mass
- 368.34 g/mol
- Monoisotopic mass
- 368.13319899
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenol--decahydroisoquinoline (1/1)
- IUPAC
- 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;2,4,6-trinitrophenol
Names & synonyms
6350-14-7NSC434802,4,6-Trinitrophenol--decahydroisoquinoline (1/1)SCHEMBL4741331DTXSID00979722NSC-43480
Database identifiers
- CAS
6350-14-7- PubChem CID
- 238902
- DTXSID
DTXSID00979722
Properties
Computed structural properties
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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