Ti-Bzac-Cl2
Basic information
- CAS
53479-23-5- Standard SMILES
CC(=O)/C=C(/[O-])c1ccccc1.CC(=O)/C=C(/[O-])c1ccccc1.[Cl-].[Cl-].[Ti+4]- InChIKey
YLQPQLYVHPRJKH-FHPZIRFBSA-J- Molecular formula
- C20H18Cl2O4Ti
- Average molar mass
- 441.1 g/mol
- Monoisotopic mass
- 440.006155
Names & identifiers
- Preferred name
- Ti-Bzac-Cl2
- IUPAC
- bis((E)-3-oxo-1-phenylbut-1-en-1-olate);titanium(4+);dichloride
- English name
- dichlorobis(1-phenyl-1,3-butanedionato)titanium (IV)
- Molecular formula
- C20H18Cl2O4Ti
- Molecular weight
- 441.12752
Names & synonyms
Ti-Bzac-Cl253479-23-5Titanium, dichlorobis(1-phenyl-1,3-butanedionato-O,O')-(E)-3-oxo-1-phenylbut-1-en-1-olate;titanium(4+);dichlorideDICHLOROBIS(1-PHENYL-1,3-BUTANEDIONATO)TITANIUM (IV)DICHLOROBIS(1-PHENYLBUTANE-1,3-DIONATO)TITANIUMDICHLOROBIS(1-PHENYLBUTANE-1,3-DIONATO)-TITANIUM(IV)
Database identifiers
- CAS
53479-23-5- PubChem CID
- 5486841
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 188
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Compound notes
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