zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride

C7H7Cl3N2OZn — CID 173374367

IUPACzinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride
SMILESCOC1=CCC(=[N+]=[N-])C=C1Cl.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C7H7ClN2O.2ClH.Zn/c1-11-7-3-2-5(10-9)4-6(7)8;;;/h3-4H,2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyHVZIUFCHQAYPMK-UHFFFAOYSA-L
MW306.90 g/mol
LogP-4.28
Rot. Bonds1

About zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride

zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride (PubChem CID 173374367) has the molecular formula C7H7Cl3N2OZn and a molecular weight of 306.90 g/mol. Its IUPAC name is zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride.

Molecular Properties

Compound Namezinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride
PubChem CID173374367
Molecular FormulaC7H7Cl3N2OZn
Molecular Weight306.90 g/mol
Exact Mass303.89
IUPAC Namezinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride
SMILESCOC1=CCC(=[N+]=[N-])C=C1Cl.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C7H7ClN2O.2ClH.Zn/c1-11-7-3-2-5(10-9)4-6(7)8;;;/h3-4H,2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyHVZIUFCHQAYPMK-UHFFFAOYSA-L
XLogP-4.28
TPSA45.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.90
LogP ≤ 5-4.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride?
The IUPAC name of zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride (CID 173374367) is zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride.
What is the SMILES notation for zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride?
The canonical SMILES for zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride is COC1=CCC(=[N+]=[N-])C=C1Cl.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride?
The InChIKey is HVZIUFCHQAYPMK-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H7ClN2O.2ClH.Zn/c1-11-7-3-2-5(10-9)4-6(7)8;;;/h3-4H,2H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride?
zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride has a molecular weight of 306.90 g/mol, XLogP of -4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;3-chloro-5-diazo-2-methoxycyclohexa-1,3-diene;dichloride is sourced from PubChem (CID 173374367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).