Basic information
- CAS
548454-53-1- Standard SMILES
O=C(Nc1ccc(N=Nc2ccccc2)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1)c1c(F)c(F)c(F)c(F)c1F- InChIKey
AHNIRHDJGMTDPC-UHFFFAOYSA-N- Molecular formula
- C26H10F10N4O2
- Average molar mass
- 600.4 g/mol
- Monoisotopic mass
- 600.0644072
Names & identifiers
- Preferred name
- Benzamide, N,N'-[4-(phenylazo)-1,3-phenylene]bis[2,3,4,5,6-pentafluoro-(9CI)
- IUPAC
- 2,3,4,5,6-pentafluoro-N-[3-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
Names & synonyms
DTXSID401037610AKOS003890169548454-53-1Benzamide, N,N'-[4-(phenylazo)-1,3-phenylene]bis[2,3,4,5,6-pentafluoro- (9CI)
Database identifiers
- CAS
548454-53-1- PubChem CID
- 4444940
- DTXSID
DTXSID401037610
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 945
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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