2-(2-(Aminocarbonyl)carbohydrazonoyl)-4-bromophenyl 4-ethoxybenzoate
Basic information
- CAS
881451-66-7- Standard SMILES
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(N)=O)cc1- InChIKey
JZPBDLKCGXGNIK-KEBDBYFISA-N- Molecular formula
- C17H16BrN3O4
- Average molar mass
- 406.2 g/mol
- Monoisotopic mass
- 405.03242
Names & identifiers
- Preferred name
- 2-(2-(Aminocarbonyl)carbohydrazonoyl)-4-bromophenyl 4-ethoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
- English name
- 2-(2-(Aminocarbonyl)carbohydrazonoyl)-4-bromophenyl 4-ethoxybenzoate
- Molecular formula
- C17H16BrN3O4
- Molecular weight
- 406.23
Names & synonyms
AKOS0244112262-(2-(AMINOCARBONYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-ETHOXYBENZOATEBenzoic acid, 4-ethoxy-, 2-[[2-(aminocarbonyl)hydrazinylidene]methyl]-4-bromophenyl ester
Database identifiers
- CAS
881451-66-7- PubChem CID
- 9605780
- EC Number
- 130-767-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Density
- 1.479 · 1.479±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.07 · 11.070±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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