Basic information
- CAS
339016-58-9- Standard SMILES
O=C(C=C(C(=O)O)c1ccccc1)NNc1ccc(Cl)cc1Cl- InChIKey
YVVCNSGFQSAIFN-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2N2O3
- Average molar mass
- 351.2 g/mol
Names & identifiers
- Preferred name
- 4-[2-(2,4-Dichlorophenyl)hydrazinyl]-4-oxo-2-phenylbut-2-enoic acid
- IUPAC
- 4-[2-(2,4-dichlorophenyl)hydrazinyl]-4-oxo-2-phenylbut-2-enoic acid
- English name
- 4-[2-(2,4-Dichlorophenyl)hydrazino]-4-oxo-2-phenyl-2-butenoic acid
- Molecular formula
- C16H12Cl2N2O3
- Molecular weight
- 351.18
Names & synonyms
SCHEMBL20349964-[2-(2,4-Dichlorophenyl)hydrazino]-4-oxo-2-phenyl-2-butenoic acid2-Butenedioic acid, 2-phenyl-, 4-[2-(2,4-dichlorophenyl)hydrazide](2Z)-3-[N'-(2,4-dichlorophenyl)hydrazinecarbonyl]-2-phenylprop-2-enoic acid
Database identifiers
- CAS
339016-58-9
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Boiling point
- 464.741 · 464.741±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.472 · 1.472±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.968 · 2.968±0.19(predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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