4-nitro-N-(2,2,2-trichloro-1-{4-[(E)-phenyldiazenyl]anilino}ethyl)benzamide
Basic information
- CAS
324072-40-4- Standard SMILES
O=C(NC(Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1- InChIKey
HBOCNVDCLOYQKJ-UHFFFAOYSA-N- Molecular formula
- C21H16Cl3N5O3
- Average molar mass
- 492.7 g/mol
- Monoisotopic mass
- 491.031872
Names & identifiers
- Preferred name
- 4-nitro-N-(2,2,2-trichloro-1-{4-[(E)-phenyldiazenyl]anilino}ethyl)benzamide
- IUPAC
- 4-nitro-N-[2,2,2-trichloro-1-(4-phenyldiazenylanilino)ethyl]benzamide
- English name
- (E)-4-nitro-N-(2,2,2-trichloro-1-((4-(phenyldiazenyl)phenyl)amino)ethyl)benzamide
- Molecular formula
- C21H16Cl3N5O3
- Molecular weight
- 492.74
Names & synonyms
DTXSID301038546STK8223914-nitro-N-(2,2,2-trichloro-1-{4-[(E)-phenyldiazenyl]anilino}ethyl)benzamideAKOS005178643324072-40-44-nitro-N-[2,2,2-trichloro-1-({4-[(E)-phenyldiazenyl]phenyl}amino)ethyl]benzamideBenzamide, 4-nitro-N-[2,2,2-trichloro-1-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl]-4-NITRO-N-(2,2,2-TRICHLORO-1-(4-PHENYLAZO-PHENYLAMINO)-ETHYL)-BENZAMIDE(E)-4-nitro-N-(2,2,2-trichloro-1-((4-(phenyldiazenyl)phenyl)amino)ethyl)benzamide
Database identifiers
- CAS
324072-40-4- PubChem CID
- 3573530
- DTXSID
DTXSID301038546
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 648
Physicochemical properties
- Boiling point
- 695.531 · 695.531±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.451 · 1.451±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.716 · 10.716±0.46(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…