TI(Bzac)2-Br2
Basic information
- CAS
66749-01-7- Standard SMILES
CC(=O)/C=C(\[O-])c1ccccc1.CC(=O)/C=C(\[O-])c1ccccc1.[Br-].[Br-].[Ti+4]- InChIKey
CADZKMHREKJMKR-JPFZJSEDSA-J- Molecular formula
- C20H18Br2O4Ti
- Average molar mass
- 530 g/mol
- Monoisotopic mass
- 527.90512
Names & identifiers
- Preferred name
- TI(Bzac)2-Br2
- IUPAC
- bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);titanium(4+);dibromide
- English name
- dibromobis(1-phenyl-1,3-butanedionato)titanium (IV)
- Molecular formula
- C20H18Br2O4Ti
- Molecular weight
- 530.02952
Names & synonyms
TI(Bzac)2-Br266749-01-7Dibromobis(1-phenyl-1,3-butanedionato)titanium (IV)Dibromobis(1-phenyl-1,3-butanedionato-O,O')titaniumTitanium, dibromobis(1-phenyl-1,3-butanedionato-O,O')-(Z)-3-oxo-1-phenylbut-1-en-1-olate;titanium(4+);dibromide
Database identifiers
- CAS
66749-01-7- PubChem CID
- 5486946
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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