Basic information
- CAS
20139-62-2- Standard SMILES
COc1ccc(NC(=O)C(N=Nc2ccc(-c3ccc(N=NC(C(C)=O)C(=O)Nc4ccc(OC)cc4)cc3Cl)c(Cl)c2)C(C)=O)cc1- InChIKey
JFXMNXSPYGVWSS-UHFFFAOYSA-N- Molecular formula
- C34H30Cl2N6O6
- Average molar mass
- 689.5 g/mol
- Monoisotopic mass
- 688.1603881
Names & identifiers
- Preferred name
- 2,2'-((2,2'-Dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(4-methoxyphenyl)-3-oxobutyramide)
- IUPAC
- 2-[[3-chloro-4-[2-chloro-4-[[1-(4-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-methoxyphenyl)-3-oxobutanamide
- English name
- 2,2'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methoxyphenyl)-3-oxobutyramide]
- Molecular formula
- C34H30Cl2N6O6
- Molecular weight
- 689.55
Names & synonyms
20139-62-22,2'-((2,2'-Dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(4-methoxyphenyl)-3-oxobutyramide)2,2'-[(2,2'-DICHLORO[1,1'-BIPHENYL]-4,4'-DIYL)BIS(AZO)]BIS[N-(4-METHOXYPHENYL)-3-OXOBUTYRAMIDE]EINECS 243-542-5JFXMNXSPYGVWSS-UHFFFAOYSA-NDTXSID501115445NS000514062,2'-[(2,2'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis[N-(4-methoxyphenyl)-3-oxobutanamide]Butanamide, 2,2a(2)-[(2,2a(2)-dichloro[1,1a(2)-biphenyl]-4,4a(2)-diyl)bis(azo)]bis[N-(4-methoxyphenyl)-3-oxo-2,2'-[(2,2'-Dichloro-1,1'-biphenyl-4,4'-diyl)bis(azo)]bis[N-(4-methoxyphenyl)-3-oxobutanamide]Butanamide, 2,2'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methoxyphenyl)-3-oxo- (9CI)
Database identifiers
- CAS
20139-62-2- PubChem CID
- 89277
- DTXSID
DTXSID501115445- EC Number
- 243-542-5
- Nikkaji
- J280.457C
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- Boiling point
- 827 · 827.0±65.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 0.75 · 0.75±0.59(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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