3-(2-(3-Methylbenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Basic information
- CAS
883570-97-6- Standard SMILES
Cc1cccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c1- InChIKey
JMOBHIZDALCGQZ-ZVHZXABRSA-N- Molecular formula
- C22H17ClN2O3
- Average molar mass
- 392.8 g/mol
- Monoisotopic mass
- 392.0927701
Names & identifiers
- Preferred name
- 3-(2-(3-Methylbenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [3-[(E)-[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Names & synonyms
AKOS0244093843-(2-(3-METHYLBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Database identifiers
- CAS
883570-97-6- PubChem CID
- 9651302
- EC Number
- 127-892-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 560
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