4-BR-2-(2-((4-Isopropylphenoxy)AC)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
Basic information
- CAS
883004-64-6- Standard SMILES
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1OC- InChIKey
BQIZLWRKUXRDSC-WKULSOCRSA-N- Molecular formula
- C27H27BrN2O6
- Average molar mass
- 555.4 g/mol
- Monoisotopic mass
- 554.10525
Names & identifiers
- Preferred name
- 4-BR-2-(2-((4-Isopropylphenoxy)AC)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
- English name
- 4-Br-2-(2-((4-isopropylphenoxy)Ac)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
- Molecular formula
- C27H27BrN2O6
- Molecular weight
- 555.42
Names & synonyms
AKOS0244107814-BR-2-(2-((4-ISOPROPYLPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATEBenzoic acid, 3,4-dimethoxy-, 4-bromo-2-[[2-[2-[4-(1-methylethyl)phenoxy]acetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
883004-64-6- PubChem CID
- 9607575
- EC Number
- 129-453-3
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 727
Physicochemical properties
- Density
- 1.322 · 1.322±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.55 · 11.550±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…