2,7-Dinitrophenanthrene
Basic information
- CAS
5047-01-8- Standard SMILES
O=[N+]([O-])c1ccc2c(ccc3cc([N+](=O)[O-])ccc32)c1- InChIKey
UVKYUZYYRLXWTO-UHFFFAOYSA-N- Molecular formula
- C14H8N2O4
- Average molar mass
- 268.22 g/mol
- Monoisotopic mass
- 268.04840674
Names & identifiers
- Preferred name
- 2,7-Dinitrophenanthrene
- IUPAC
- 2,7-dinitrophenanthrene
- English name
- BRN 2140751
- Molecular formula
- C14H8N2O4
- Molecular weight
- 268.22
Names & synonyms
2,7-DinitrophenanthrenePhenanthrene, 2,7-dinitro-8D3C466UKUDTXSID00198496RefChem:197474DTXCID301209875047-01-8CCRIS 3377BRN 2140751UNII-8D3C466UKU
Database identifiers
- CAS
5047-01-8- PubChem CID
- 145774
- DTXSID
DTXSID00198496- UNII
- 8D3C466UKU
- Nikkaji
- J2.104.063K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- FDA UNII
- 8 D3C466UKU · 8D3C466UKU
Chemistry & industry
Upstream & downstream products
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Related reactions
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Compound notes
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