2,4,6-Trinitrophenol-1-methoxyphthalazine(1:1)
Basic information
- CAS
92432-84-3- Standard SMILES
COc1nncc2ccccc12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
TYQPISJWMQCBCK-UHFFFAOYSA-N- Molecular formula
- C15H11N5O8
- Average molar mass
- 389.28 g/mol
- Monoisotopic mass
- 389.06076233
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenol-1-methoxyphthalazine(1:1)
- IUPAC
- 1-methoxyphthalazine;2,4,6-trinitrophenol
Names & synonyms
92432-84-32,4,6-trinitrophenol- 1-methoxyphthalazine(1:1)NSC158310DTXSID60303428NSC-1583102,4,6-Trinitrophenol--1-methoxyphthalazine (1/1)
Database identifiers
- CAS
92432-84-3- PubChem CID
- 292502
- DTXSID
DTXSID60303428
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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