Basic information
- CAS
868560-29-6- Standard SMILES
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1- InChIKey
UHWKJFLULJAUKT-AFUMVMLFSA-N- Molecular formula
- C23H18ClN3O4
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 435.0985838
Names & identifiers
- Preferred name
- 4-(2-(Oxo(2-toluidino)acetyl)carbohydrazonoyl)phenyl 3-chlorobenzoate
- IUPAC
- [4-[(E)-[[2-(2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
- English name
- 4-(2-(Oxo(2-toluidino)acetyl)carbohydrazonoyl)phenyl 3-chlorobenzoate
- Molecular formula
- C23H18ClN3O4
- Molecular weight
- 435.86
Names & synonyms
AKOS0244136934-(2-(OXO(2-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-CHLOROBENZOATEBenzoic acid, 3-chloro-, 4-[[2-[2-[(2-methylphenyl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
868560-29-6- PubChem CID
- 9658287
- EC Number
- 136-208-4
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 663
Physicochemical properties
- Density
- 1.29 · 1.290±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.855 · 9.855±0.46(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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