zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride

C16H16Cl6N3OZn- — CID 170840437

IUPACzinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride
SMILESCCN(CC)c1cc(Cl)c([N+]#N)cc1Oc1ccc(Cl)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C16H16Cl2N3O.4ClH.Zn/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;;;;;/h5-10H,3-4H2,1-2H3;4*1H;/q+1;;;;;+2/p-4
InChIKeyKDZLYIJSXXIHDR-UHFFFAOYSA-J
MW544.43 g/mol
LogP-5.87
Rot. Bonds5

About zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride

zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride (PubChem CID 170840437) has the molecular formula C16H16Cl6N3OZn- and a molecular weight of 544.43 g/mol. Its IUPAC name is zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride.

Molecular Properties

Compound Namezinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride
PubChem CID170840437
Molecular FormulaC16H16Cl6N3OZn-
Molecular Weight544.43 g/mol
Exact Mass539.87
IUPAC Namezinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride
SMILESCCN(CC)c1cc(Cl)c([N+]#N)cc1Oc1ccc(Cl)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C16H16Cl2N3O.4ClH.Zn/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;;;;;/h5-10H,3-4H2,1-2H3;4*1H;/q+1;;;;;+2/p-4
InChIKeyKDZLYIJSXXIHDR-UHFFFAOYSA-J
XLogP-5.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.43
LogP ≤ 5-5.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)benzenediazonium
CID 21446526
2,4-dichlorobenzenediazonium;trichloroiron;chloride
CID 139974846
3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline
CID 141126096
2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium
CID 88715859
2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
CID 70504097
N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine
CID 28772873
N-[[2,6-bis(4-chlorophenoxy)phenyl]-(diethylamino)phosphanyl]-N-ethylethanamine
CID 135219842
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
4-(bromomethyl)-2-chloro-N,N-diethylaniline
CID 107078904
[6-chloro-2-(diethylamino)-4-phenoxynaphthalen-1-yl] prop-2-enoate
CID 163407115
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488

Frequently Asked Questions

What is the IUPAC name of zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride?
The IUPAC name of zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride (CID 170840437) is zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride.
What is the SMILES notation for zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride?
The canonical SMILES for zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride is CCN(CC)c1cc(Cl)c([N+]#N)cc1Oc1ccc(Cl)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride?
The InChIKey is KDZLYIJSXXIHDR-UHFFFAOYSA-J. The full InChI is InChI=1S/C16H16Cl2N3O.4ClH.Zn/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;;;;;/h5-10H,3-4H2,1-2H3;4*1H;/q+1;;;;;+2/p-4.
What are the key properties of zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride?
zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride has a molecular weight of 544.43 g/mol, XLogP of -5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride is sourced from PubChem (CID 170840437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).