dichlorozinc;methanidylbenzene;hydrochloride

C7H8Cl3Zn- — CID 135382974

IUPACdichlorozinc;methanidylbenzene;hydrochloride
SMILESCl.Cl[Zn]Cl.[CH2-]c1ccccc1
InChIInChI=1S/C7H7.3ClH.Zn/c1-7-5-3-2-4-6-7;;;;/h2-6H,1H2;3*1H;/q-1;;;;+2/p-2
InChIKeyQAUKOGKSRFDDDY-UHFFFAOYSA-L
MW263.89 g/mol
LogP3.67
Rot. Bonds

About dichlorozinc;methanidylbenzene;hydrochloride

dichlorozinc;methanidylbenzene;hydrochloride (PubChem CID 135382974) has the molecular formula C7H8Cl3Zn- and a molecular weight of 263.89 g/mol. Its IUPAC name is dichlorozinc;methanidylbenzene;hydrochloride.

Molecular Properties

Compound Namedichlorozinc;methanidylbenzene;hydrochloride
PubChem CID135382974
Molecular FormulaC7H8Cl3Zn-
Molecular Weight263.89 g/mol
Exact Mass260.90
IUPAC Namedichlorozinc;methanidylbenzene;hydrochloride
SMILESCl.Cl[Zn]Cl.[CH2-]c1ccccc1
InChIInChI=1S/C7H7.3ClH.Zn/c1-7-5-3-2-4-6-7;;;;/h2-6H,1H2;3*1H;/q-1;;;;+2/p-2
InChIKeyQAUKOGKSRFDDDY-UHFFFAOYSA-L
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.89
LogP ≤ 53.67
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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Related Compounds

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CID 172832210
CID 172832210
difluorozinc;methanidylbenzene;hydrobromide
CID 87300766
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Frequently Asked Questions

What is the IUPAC name of dichlorozinc;methanidylbenzene;hydrochloride?
The IUPAC name of dichlorozinc;methanidylbenzene;hydrochloride (CID 135382974) is dichlorozinc;methanidylbenzene;hydrochloride.
What is the SMILES notation for dichlorozinc;methanidylbenzene;hydrochloride?
The canonical SMILES for dichlorozinc;methanidylbenzene;hydrochloride is Cl.Cl[Zn]Cl.[CH2-]c1ccccc1.
What is the InChIKey of dichlorozinc;methanidylbenzene;hydrochloride?
The InChIKey is QAUKOGKSRFDDDY-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H7.3ClH.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;hydrochloride?
dichlorozinc;methanidylbenzene;hydrochloride has a molecular weight of 263.89 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;methanidylbenzene;hydrochloride is sourced from PubChem (CID 135382974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).