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Fast Blue RR Salt

CAT: 1489-F8020-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1489-F8020-01Size:1 g
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CAS Number
14726-29-5

Chemical Information

4-Benzamido-2,5-dimethoxybenzenediazonium;dichlorozinc;dichloride
CAS Number14726-29-5
PubChem CID2724074
IUPAC Namebis(4-benzamido-2,5-dimethoxybenzenediazonium);dichlorozinc;dichloride
Molecular FormulaC30H28Cl4N6O6Zn
Molecular Weight775.8
Topological Polar Surface Area151
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity403
SMILES
COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)[N+]#N.COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)[N+]#N.[Cl-].[Cl-].Cl[Zn]Cl
InChI
InChI=1S/2C15H13N3O3.4ClH.Zn/c2*1-20-13-9-12(18-16)14(21-2)8-11(13)17-15(19)10-6-4-3-5-7-10;;;;;/h2*3-9H,1-2H3;4*1H;/q;;;;;;+2/p-2
InChIKey
LLARVKAOQLUCQI-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of 4-Benzamido-2,5-dimethoxybenzenediazonium;dichlorozinc;dichloride
CAS: 14726-29-5
CID: 2724074
Formula: C30H28Cl4N6O6Zn
MW: 775.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight775.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass774.008635
Monoisotopic Mass772.011585
Topological Polar Surface Area151 Ų
Heavy Atom Count47
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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