zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide

C7H5BrCl2Zn — CID 159107750

IUPACzinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide
SMILESC=C1C=C[C-](Cl)C(Cl)=C1.[Br-].[Zn+2]
InChIInChI=1S/C7H5Cl2.BrH.Zn/c1-5-2-3-6(8)7(9)4-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyKECIHPKOQWKODI-UHFFFAOYSA-M
MW305.32 g/mol
LogP0.01
Rot. Bonds

About zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide

zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide (PubChem CID 159107750) has the molecular formula C7H5BrCl2Zn and a molecular weight of 305.32 g/mol. Its IUPAC name is zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide.

Molecular Properties

Compound Namezinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide
PubChem CID159107750
Molecular FormulaC7H5BrCl2Zn
Molecular Weight305.32 g/mol
Exact Mass301.82
IUPAC Namezinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide
SMILESC=C1C=C[C-](Cl)C(Cl)=C1.[Br-].[Zn+2]
InChIInChI=1S/C7H5Cl2.BrH.Zn/c1-5-2-3-6(8)7(9)4-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyKECIHPKOQWKODI-UHFFFAOYSA-M
XLogP0.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide?
The IUPAC name of zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide (CID 159107750) is zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide.
What is the SMILES notation for zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide?
The canonical SMILES for zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide is C=C1C=C[C-](Cl)C(Cl)=C1.[Br-].[Zn+2].
What is the InChIKey of zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide?
The InChIKey is KECIHPKOQWKODI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5Cl2.BrH.Zn/c1-5-2-3-6(8)7(9)4-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide?
zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide has a molecular weight of 305.32 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide is sourced from PubChem (CID 159107750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).