4-Bromo-2-(2-(2-iodobenzoyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
Basic information
- CAS
880053-08-7- Standard SMILES
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2I)cc1OC- InChIKey
NRDUSIGOZUEPDU-LGJNPRDNSA-N- Molecular formula
- C23H18BrIN2O5
- Average molar mass
- 609.2 g/mol
- Monoisotopic mass
- 607.94438
Names & identifiers
- Preferred name
- 4-Bromo-2-(2-(2-iodobenzoyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Names & synonyms
AKOS0244107884-BROMO-2-(2-(2-IODOBENZOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Database identifiers
- CAS
880053-08-7- PubChem CID
- 9606934
- EC Number
- 129-603-8
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 666
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Compound notes
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