12236-85-0 Purity
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Specification
The molecular formula of Reactive Brown 2 is C31H20ClN9Na4O12S4.
Some synonyms for Reactive Brown 2 are tetrasodium;5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalene-1,3,6-trisulfonate.
The molecular weight of Reactive Brown 2 is 966.2 g/mol.
Reactive Brown 2 was created on 2005-08-08 and last modified on 2023-12-23.
The IUPAC name of Reactive Brown 2 is tetrasodium;5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalene-1,3,6-trisulfonate.
The InChI value for Reactive Brown 2 is InChI=1S/C31H24ClN9O12S4.4Na/c1-14-10-25(40-41-28-21-12-17(55(45,46)47)13-27(57(51,52)53)19(21)5-8-26(28)56(48,49)50)15(2)9-24(14)39-38-23-7-6-22(34-31-36-29(32)35-30(33)37-31)18-4-3-16(11-20(18)23)54(42,43)44;;;;/h3-13H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H3,33,34,35,36,37);;;;/q;4*+1/p-4 and the InChIKey value is JAHOBQDOBYFPTP-UHFFFAOYSA-J.
The Canonical SMILES for Reactive Brown 2 is CC1=CC...6-yl)azo)-, tetrasodium salt
Other identifiers for Reactive Brown 2 include European Community (EC) Number 274-414-7 and DSSTox Substance ID DTXSID40890003.
Some computed properties of Reactive Brown 2 include Hydrogen Bond Donor Count of 2, Hydrogen Bond Acceptor Count of 21, Rotatable Bond Count of 6, Exact Mass of 964.9393566 g/mol, and Topological Polar Surface Area of 389 2.
The complexity of Reactive Brown 2 is 1890.