N-(4-Chloro-2,5-dimethoxyphenyl)-2-((2-methoxy-4-nitrophenyl)azo)-3-oxobutyramide
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Basic information
- CAS
22254-53-1- Standard SMILES
COc1cc(NC(=O)C(N=Nc2ccc([N+](=O)[O-])cc2OC)C(C)=O)c(OC)cc1Cl- InChIKey
UKDQJSCBLDOTIF-UHFFFAOYSA-N- Molecular formula
- C19H19ClN4O7
- Average molar mass
- 450.8 g/mol
- Monoisotopic mass
- 450.0942267
Names & identifiers
- Preferred name
- N-(4-Chloro-2,5-dimethoxyphenyl)-2-((2-methoxy-4-nitrophenyl)azo)-3-oxobutyramide
- IUPAC
- N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide
- English name
- N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxobutyramide
- Molecular formula
- C19H19ClN4O7
- Molecular weight
- 450.83
Names & synonyms
22254-53-1N-(4-Chloro-2,5-dimethoxyphenyl)-2-((2-methoxy-4-nitrophenyl)azo)-3-oxobutyramideN-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxobutyramideEINECS 244-874-3N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamideUKDQJSCBLDOTIF-UHFFFAOYSA-NDTXSID501123995NS00049886N-(4-Chloro-2,5-dimethoxyphenyl)-2-[2-(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamideN-(4-Chloro-2,5-dimethoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxobutanamide
Database identifiers
- CAS
22254-53-1- PubChem CID
- 90760
- DTXSID
DTXSID501123995- EC Number
- 244-874-3
- Nikkaji
- J285.468F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 674
Physicochemical properties
- Boiling point
- 622.467 · 622.467±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.406 · 1.406±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.941 · 6.941±0.59(predicted)
Related reactions
0 records
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Compound notes
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