Basic information
- CAS
84030-37-5- Standard SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1cc(C)c(Cl)cc1S(=O)(=O)[O-].[Ba+2]- InChIKey
JZOUNXAIPAEOHR-RZLHGTIFSA-L- Molecular formula
- C17H13BaClN4O7S2
- Average molar mass
- 622.2 g/mol
- Monoisotopic mass
- 621.896666
Names & identifiers
- Preferred name
- 2-Chloro-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)toluene-4-sulphonic acid, barium salt
- IUPAC
- barium(2+);5-chloro-4-methyl-2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
- English name
- 2-chloro-5-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]toluene-4-sulphonic acid, barium salt
- Molecular formula
- C17H13BaClN4O7S2
- Molecular weight
- 622.21772
Names & synonyms
EINECS 281-810-384030-37-52-Chloro-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)toluene-4-sulphonic acid, barium saltJZOUNXAIPAEOHR-UHFFFAOYSA-L2-chloro-5-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]toluene-4-sulphonic acid, barium salt5-Chloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-4-methylbenzenesulfonic acid barium salt
Database identifiers
- CAS
84030-37-5- PubChem CID
- 44153308
- EC Number
- 281-810-3
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 939
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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