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Arsenazo I trisodium

CAT: 0063-90005357Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0063-90005357Size:100 mg
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CAS Number
520-10-5

Chemical Information

Arsenazo I

calcium-sensitive, metallochromic dye used as reagent

CAS Number520-10-5
PubChem CID68217
IUPAC Name3-[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
Molecular FormulaC16H13AsN2O11S2
Molecular Weight548.3
Topological Polar Surface Area248
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity971
SMILES
C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)O)[As](=O)(O)O
InChI
InChI=1S/C16H13AsN2O11S2/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30)
InChIKey
NJZWLEZSGOTSHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arsenazo I
CAS: 520-10-5
CID: 68217
Formula: C16H13AsN2O11S2
MW: 548.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight548.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass547.917671
Monoisotopic Mass547.917671
Topological Polar Surface Area248 Ų
Heavy Atom Count32
Formal Charge0
Complexity971
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes