Ti-Paps
Basic information
- CAS
95069-72-0- Standard SMILES
CCCN(CCCS(=O)(=O)[O-])c1ccc(N=Nc2ccc(Br)cn2)c([O-])c1.[H+].[O-]O.[OH-].[OH-].[Ti+4]- InChIKey
TUCHAXCJFVJUNL-UHFFFAOYSA-J- Molecular formula
- C17H23BrN4O8STi
- Average molar mass
- 571.2 g/mol
- Monoisotopic mass
- 569.98994
Names & identifiers
- Preferred name
- Ti-Paps
- English name
- titanium 2-((5-bromopyridyl)azo)-5-(N-propyl-N-sulfopropylamino)phenol
- Molecular formula
- C17H23BrN4O8STi
- Molecular weight
- 0
Names & synonyms
Ti-Paps95069-72-0Titanium 2-((5-bromopyridyl)azo)-5-(N-propyl-N-sulfopropylamino)phenolPubChem ID: 196601
Database identifiers
- CAS
95069-72-0- PubChem CID
- 196601
Properties
Computed structural properties
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 558
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Related reactions
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Compound notes
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