Basic information
- CAS
73018-85-6- Standard SMILES
CNS(=O)(=O)c1ccc(N=Nc2c(C)nn(-c3ccc(Cl)cc3)c2[O-])c([O-])c1.CNS(=O)(=O)c1ccc(N=Nc2c(C)nn(-c3ccc(Cl)cc3)c2[O-])c([O-])c1.[Cr+3].[H+]- InChIKey
QLQJMIMYKJBYRU-UHFFFAOYSA-K- Molecular formula
- C34H29Cl2CrN10O8S2
- Average molar mass
- 892.7 g/mol
- Monoisotopic mass
- 891.039335
Overview
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Names & identifiers
- Preferred name
- Chromate(1-), bis(4-((1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-N-methylbenzenesulfonamidato(2-))-, hydrogen
- IUPAC
- bis(1-(4-chlorophenyl)-3-methyl-4-[[4-(methylsulfamoyl)-2-oxidophenyl]diazenyl]pyrazol-5-olate);chromium(3+);hydron
Names & synonyms
73018-85-6EINECS 277-227-9Chromate(1-), bis(4-((1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-N-methylbenzenesulfonamidato(2-))-, hydrogenChromate(1-), bis[4-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-N-methylbenzenesulfonamidato(2-)]-, hydrogenHydrogen bis(4-((1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-3-hydroxy-N-methylbenzene-1-sulphonamidato(2-))chromate(1-)
Database identifiers
- CAS
73018-85-6- PubChem CID
- 175386
- EC Number
- 277-227-9
Properties
Computed structural properties
- Topological polar surface area
- 286 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 652
Related reactions
0 records
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Compound notes
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