3-(2-((3-CL-2-Methylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Basic information
- CAS
881467-15-8- Standard SMILES
Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1- InChIKey
XBOYOOMHGFMCTR-LGJNPRDNSA-N- Molecular formula
- C23H17Cl2N3O4
- Average molar mass
- 470.3 g/mol
- Monoisotopic mass
- 469.0596114
Names & identifiers
- Preferred name
- 3-(2-((3-CL-2-Methylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [3-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
- English name
- 3-(2-((3-Cl-2-methylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- Molecular formula
- C23H17Cl2N3O4
- Molecular weight
- 470.31
Names & synonyms
AKOS0244094053-(2-((3-CL-2-METHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATEBenzoic acid, 4-chloro-, 3-[[2-[2-[(3-chloro-2-methylphenyl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
881467-15-8- PubChem CID
- 9658552
- EC Number
- 127-820-2
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Physicochemical properties
- Density
- 1.355 · 1.355±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.822 · 9.822±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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