dichlorozinc;methanidylbenzene;hydrobromide

C7H8BrCl2Zn- — CID 90272356

IUPACdichlorozinc;methanidylbenzene;hydrobromide
SMILESBr.Cl[Zn]Cl.[CH2-]c1ccccc1
InChIInChI=1S/C7H7.BrH.2ClH.Zn/c1-7-5-3-2-4-6-7;;;;/h2-6H,1H2;3*1H;/q-1;;;;+2/p-2
InChIKeyOEAUOOOROXPALU-UHFFFAOYSA-L
MW308.34 g/mol
LogP3.82
Rot. Bonds

About dichlorozinc;methanidylbenzene;hydrobromide

dichlorozinc;methanidylbenzene;hydrobromide (PubChem CID 90272356) has the molecular formula C7H8BrCl2Zn- and a molecular weight of 308.34 g/mol. Its IUPAC name is dichlorozinc;methanidylbenzene;hydrobromide.

Molecular Properties

Compound Namedichlorozinc;methanidylbenzene;hydrobromide
PubChem CID90272356
Molecular FormulaC7H8BrCl2Zn-
Molecular Weight308.34 g/mol
Exact Mass304.85
IUPAC Namedichlorozinc;methanidylbenzene;hydrobromide
SMILESBr.Cl[Zn]Cl.[CH2-]c1ccccc1
InChIInChI=1S/C7H7.BrH.2ClH.Zn/c1-7-5-3-2-4-6-7;;;;/h2-6H,1H2;3*1H;/q-1;;;;+2/p-2
InChIKeyOEAUOOOROXPALU-UHFFFAOYSA-L
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.82
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 dichlorozinc;methanidylbenzene;hydrobromide?
The IUPAC name of dichlorozinc;methanidylbenzene;hydrobromide (CID 90272356) is dichlorozinc;methanidylbenzene;hydrobromide.
What is the SMILES notation for dichlorozinc;methanidylbenzene;hydrobromide?
The canonical SMILES for dichlorozinc;methanidylbenzene;hydrobromide is Br.Cl[Zn]Cl.[CH2-]c1ccccc1.
What is the InChIKey of dichlorozinc;methanidylbenzene;hydrobromide?
The InChIKey is OEAUOOOROXPALU-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H7.BrH.2ClH.Zn/c1-7-5-3-2-4-6-7;;;;/h2-6H,1H2;3*1H;/q-1;;;;+2/p-2.
What are the key properties of dichlorozinc;methanidylbenzene;hydrobromide?
dichlorozinc;methanidylbenzene;hydrobromide has a molecular weight of 308.34 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;methanidylbenzene;hydrobromide is sourced from PubChem (CID 90272356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).