CID 9577415
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Basic information
- CAS
61969-31-1- Standard SMILES
COc1ccc(N/N=C2\C(=O)c3ccc(Nc4nc(F)nc(F)c4Cl)cc3C=C2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]- InChIKey
QFKARGTXAOBDSD-ULBWHOMYSA-L- Molecular formula
- C21H12ClF2N5Na2O8S2
- Average molar mass
- 645.9 g/mol
Names & identifiers
- Preferred name
- CID 9577415
- IUPAC
- disodium;(3E)-7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-3-[(4-methoxy-2-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonate
- English name
- Reactive red 123
- Molecular formula
- C21H12ClF2N5Na2O8S2
- Molecular weight
- 645.9080264
Names & synonyms
C.I.Reactive Red 123:C.I.179085Sandoz Drimarene Scarlet K-2G Granulated
Database identifiers
- CAS
61969-31-1
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,180
Chemistry & industry
Preparation methods
Preparation2-Amino-5-methoxybenzenesulfonic acid diazo, and 7-Amino-4-hydroxynaphthalene-2-sulfonic acid coupling, and 5-Chloro-2,4,6-trifluoropyrimidine condensation.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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