Fluoranthene, 1,2,4-trinitro-
Basic information
- CAS
102493-20-9- Standard SMILES
O=[N+]([O-])c1cc2c([N+](=O)[O-])ccc3c2c(c1[N+](=O)[O-])-c1ccccc1-3- InChIKey
WHKRRYLZSVSUKK-UHFFFAOYSA-N- Molecular formula
- C16H7N3O6
- Average molar mass
- 337.24 g/mol
- Monoisotopic mass
- 337.03348495
Names & identifiers
- Preferred name
- Fluoranthene, 1,2,4-trinitro-
- IUPAC
- 1,2,4-trinitrofluoranthene
- English name
- TRINITROFLUORANTHENE
- Molecular weight
- 0
Names & synonyms
1,2,4-Trinitrofluoranthene102493-20-9Fluoranthene, 1,2,4-trinitro-BRN 6001459DTXSID70145194RefChem:345490DTXCID5067685CHEMBL167285
Database identifiers
- CAS
102493-20-9- PubChem CID
- 149090
- DTXSID
DTXSID70145194- ChEMBL
CHEMBL167285- Nikkaji
- J541.833J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 596
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Related reactions
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Compound notes
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