bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-)

C14H14Cl6N4O2Zn-2 — CID 23311498

IUPACbis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-)
SMILESCOC1C=CC(Cl)=CC1=[N+]=[N-].COC1C=CC(Cl)=CC1=[N+]=[N-].Cl[Zn-2](Cl)(Cl)Cl
InChIInChI=1S/2C7H7ClN2O.4ClH.Zn/c2*1-11-7-3-2-5(8)4-6(7)10-9;;;;;/h2*2-4,7H,1H3;4*1H;/q;;;;;;+2/p-4
InChIKeyCLKSEQIZDBIRPO-UHFFFAOYSA-J
MW548.40 g/mol
LogP5.48
Rot. Bonds2

About bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-)

bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-) (PubChem CID 23311498) has the molecular formula C14H14Cl6N4O2Zn-2 and a molecular weight of 548.40 g/mol. Its IUPAC name is bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-).

Molecular Properties

Compound Namebis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-)
PubChem CID23311498
Molecular FormulaC14H14Cl6N4O2Zn-2
Molecular Weight548.40 g/mol
Exact Mass543.86
IUPAC Namebis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-)
SMILESCOC1C=CC(Cl)=CC1=[N+]=[N-].COC1C=CC(Cl)=CC1=[N+]=[N-].Cl[Zn-2](Cl)(Cl)Cl
InChIInChI=1S/2C7H7ClN2O.4ClH.Zn/c2*1-11-7-3-2-5(8)4-6(7)10-9;;;;;/h2*2-4,7H,1H3;4*1H;/q;;;;;;+2/p-4
InChIKeyCLKSEQIZDBIRPO-UHFFFAOYSA-J
XLogP5.48
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.40
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-6-diazo-5-methoxycyclohexa-1,3-diene
CID 23311499
5-Butoxy-2-chloro-6-diazocyclohexa-1,3-diene
CID 54553681
ZINC;5-diazo-6-methoxycyclohexa-1,3-diene;dichloride
CID 160902494

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-)?
The IUPAC name of bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-) (CID 23311498) is bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-).
What is the SMILES notation for bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-)?
The canonical SMILES for bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-) is COC1C=CC(Cl)=CC1=[N+]=[N-].COC1C=CC(Cl)=CC1=[N+]=[N-].Cl[Zn-2](Cl)(Cl)Cl.
What is the InChIKey of bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-)?
The InChIKey is CLKSEQIZDBIRPO-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H7ClN2O.4ClH.Zn/c2*1-11-7-3-2-5(8)4-6(7)10-9;;;;;/h2*2-4,7H,1H3;4*1H;/q;;;;;;+2/p-4.
What are the key properties of bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-)?
bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-) has a molecular weight of 548.40 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-6-diazo-5-methoxycyclohexa-1,3-diene);tetrachlorozinc(2-) is sourced from PubChem (CID 23311498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).