Basic information
- CAS
880053-03-2- Standard SMILES
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1- InChIKey
FIPZAXDLMKZIIQ-CVKSISIWSA-N- Molecular formula
- C24H20BrN3O5
- Average molar mass
- 510.3 g/mol
- Monoisotopic mass
- 509.05863
Names & identifiers
- Preferred name
- 4-(2-((4-Ethoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-bromobenzoate
- IUPAC
- [4-[(E)-[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
- English name
- 4-(2-((4-Ethoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-bromobenzoate
- Molecular formula
- C24H20BrN3O5
- Molecular weight
- 510.34
Names & synonyms
AKOS0243997474-(2-((4-ETHOXYANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATEBenzoic acid, 4-bromo-, 4-[[2-[2-[(4-ethoxyphenyl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
880053-03-2- PubChem CID
- 9645752
- EC Number
- 144-990-3
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 680
Physicochemical properties
- Density
- 1.403 · 1.403±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.927 · 9.927±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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