3-(2-((4-Methylphenyl)sulfonyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate
Basic information
- CAS
880054-21-7- Standard SMILES
Cc1ccc(S(=O)(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1- InChIKey
DCYOGYAHTYSVMP-ZMOGYAJESA-N- Molecular formula
- C21H16Cl2N2O4S
- Average molar mass
- 463.3 g/mol
- Monoisotopic mass
- 462.0207836
Names & identifiers
- Preferred name
- 3-(2-((4-Methylphenyl)sulfonyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate
- IUPAC
- [3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
- English name
- 3-(2-((4-Methylphenyl)sulfonyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate
- Molecular formula
- C21H16Cl2N2O4S
- Molecular weight
- 463.34
Names & synonyms
AKOS0244097403-(2-((4-METHYLPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATEBenzoic acid, 2,4-dichloro-, 3-[[2-[(4-methylphenyl)sulfonyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
880054-21-7- PubChem CID
- 9644580
- EC Number
- 128-325-4
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 704
Physicochemical properties
- Boiling point
- 636.79 · 636.790±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.378 · 1.378±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.299 · 9.299±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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