zinc;benzene;methanidylbenzene

C13H12Zn — CID 139243256

IUPACzinc;benzene;methanidylbenzene
SMILES[CH2-]c1ccccc1.[Zn+2].[c-]1ccccc1
InChIInChI=1S/C7H7.C6H5.Zn/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;/h2-6H,1H2;1-5H;/q2*-1;+2
InChIKeyPJBCWUZUOCYSGA-UHFFFAOYSA-N
MW233.63 g/mol
LogP3.35
Rot. Bonds

About zinc;benzene;methanidylbenzene

zinc;benzene;methanidylbenzene (PubChem CID 139243256) has the molecular formula C13H12Zn and a molecular weight of 233.63 g/mol. Its IUPAC name is zinc;benzene;methanidylbenzene.

Molecular Properties

Compound Namezinc;benzene;methanidylbenzene
PubChem CID139243256
Molecular FormulaC13H12Zn
Molecular Weight233.63 g/mol
Exact Mass232.02
IUPAC Namezinc;benzene;methanidylbenzene
SMILES[CH2-]c1ccccc1.[Zn+2].[c-]1ccccc1
InChIInChI=1S/C7H7.C6H5.Zn/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;/h2-6H,1H2;1-5H;/q2*-1;+2
InChIKeyPJBCWUZUOCYSGA-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 53.35
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 59588918
magnesium;methanidylbenzene;hydrochloride
CID 175590637
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CID 150166404
CID 172832210
CID 172832210
magnesium;azane;methanidylbenzene;chloride
CID 172690401
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CID 6101044
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Frequently Asked Questions

What is the IUPAC name of zinc;benzene;methanidylbenzene?
The IUPAC name of zinc;benzene;methanidylbenzene (CID 139243256) is zinc;benzene;methanidylbenzene.
What is the SMILES notation for zinc;benzene;methanidylbenzene?
The canonical SMILES for zinc;benzene;methanidylbenzene is [CH2-]c1ccccc1.[Zn+2].[c-]1ccccc1.
What is the InChIKey of zinc;benzene;methanidylbenzene?
The InChIKey is PJBCWUZUOCYSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.C6H5.Zn/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;/h2-6H,1H2;1-5H;/q2*-1;+2.
What are the key properties of zinc;benzene;methanidylbenzene?
zinc;benzene;methanidylbenzene has a molecular weight of 233.63 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;benzene;methanidylbenzene is sourced from PubChem (CID 139243256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).