dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium)

C26H24Cl2N8O12S2Zn — CID 134930239

IUPACdichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium)
SMILESCN(c1ccccc1)c1ccc([N+]#N)c([N+](=O)[O-])c1.CN(c1ccccc1)c1ccc([N+]#N)c([N+](=O)[O-])c1.Cl[Zn]Cl.O=S(=O)([O-])O.O=S(=O)([O-])O
InChIInChI=1S/2C13H11N4O2.2ClH.2H2O4S.Zn/c2*1-16(10-5-3-2-4-6-10)11-7-8-12(15-14)13(9-11)17(18)19;;;2*1-5(2,3)4;/h2*2-9H,1H3;2*1H;2*(H2,1,2,3,4);/q2*+1;;;;;+2/p-4
InChIKeyFDJGXPIDJXWDKK-UHFFFAOYSA-J
MW840.95 g/mol
LogP7.08
Rot. Bonds6

About dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium)

dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium) (PubChem CID 134930239) has the molecular formula C26H24Cl2N8O12S2Zn and a molecular weight of 840.95 g/mol. Its IUPAC name is dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium).

Molecular Properties

Compound Namedichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium)
PubChem CID134930239
Molecular FormulaC26H24Cl2N8O12S2Zn
Molecular Weight840.95 g/mol
Exact Mass837.96
IUPAC Namedichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium)
SMILESCN(c1ccccc1)c1ccc([N+]#N)c([N+](=O)[O-])c1.CN(c1ccccc1)c1ccc([N+]#N)c([N+](=O)[O-])c1.Cl[Zn]Cl.O=S(=O)([O-])O.O=S(=O)([O-])O
InChIInChI=1S/2C13H11N4O2.2ClH.2H2O4S.Zn/c2*1-16(10-5-3-2-4-6-10)11-7-8-12(15-14)13(9-11)17(18)19;;;2*1-5(2,3)4;/h2*2-9H,1H3;2*1H;2*(H2,1,2,3,4);/q2*+1;;;;;+2/p-4
InChIKeyFDJGXPIDJXWDKK-UHFFFAOYSA-J
XLogP7.08
TPSA303.92 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500840.95
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-N-methyl-4-nitro-N-phenylaniline
CID 114057815
4-hydroxy-2-nitrobenzenediazonium
CID 56925690
N-methyl-4-nitro-N-phenylaniline
CID 11287619
hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium
CID 87981415
2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride
CID 14204964
hydrogen sulfate;2-methylsulfonyl-4-nitrobenzenediazonium
CID 71374569
2-(dimethylcarbamoyl)-6-nitrobenzenediazonium;hydrogen sulfate
CID 134878133
2-methoxy-4-(N-sulfoanilino)benzenediazonium
CID 18916267
2-cyano-4-nitrobenzenediazonium;hydrogen sulfate
CID 14528947
1-(4-chloro-3-nitrophenyl)-N-methyl-1-oxo-N-phenylmethanesulfonamide
CID 87183025
N-chloro-3,4-dinitro-N-phenylaniline
CID 174733567
3-(N-methylanilino)-4-nitrobenzoic acid
CID 82784151

Frequently Asked Questions

What is the IUPAC name of dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium)?
The IUPAC name of dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium) (CID 134930239) is dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium).
What is the SMILES notation for dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium)?
The canonical SMILES for dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium) is CN(c1ccccc1)c1ccc([N+]#N)c([N+](=O)[O-])c1.CN(c1ccccc1)c1ccc([N+]#N)c([N+](=O)[O-])c1.Cl[Zn]Cl.O=S(=O)([O-])O.O=S(=O)([O-])O.
What is the InChIKey of dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium)?
The InChIKey is FDJGXPIDJXWDKK-UHFFFAOYSA-J. The full InChI is InChI=1S/2C13H11N4O2.2ClH.2H2O4S.Zn/c2*1-16(10-5-3-2-4-6-10)11-7-8-12(15-14)13(9-11)17(18)19;;;2*1-5(2,3)4;/h2*2-9H,1H3;2*1H;2*(H2,1,2,3,4);/q2*+1;;;;;+2/p-4.
What are the key properties of dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium)?
dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium) has a molecular weight of 840.95 g/mol, XLogP of 7.08, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium) is sourced from PubChem (CID 134930239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).