Basic information
- CAS
87001-92-1- Standard SMILES
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCc1c(F)c(F)c(F)c(F)c1F- InChIKey
GSBGTPLZKSLHFN-UHFFFAOYSA-N- Molecular formula
- C14H7F5N2O5
- Average molar mass
- 378.21 g/mol
- Monoisotopic mass
- 378.02751214
Names & identifiers
- Preferred name
- Benzene, pentafluoro((2-methyl-4,6-dinitrophenoxy)methyl)-
- IUPAC
- 1,2,3,4,5-pentafluoro-6-[(2-methyl-4,6-dinitrophenoxy)methyl]benzene
Names & synonyms
87001-92-1Benzene, pentafluoro((2-methyl-4,6-dinitrophenoxy)methyl)-DTXSID702360511,2,3,4,5-pentafluoro-6-[(2-methyl-4,6-dinitrophenoxy)methyl]benzene
Database identifiers
- CAS
87001-92-1- PubChem CID
- 190080
- DTXSID
DTXSID70236051
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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