potassium;carbanide;1-chloro-3-methylbenzene-4-ide

C8H9ClK- — CID 177050107

IUPACpotassium;carbanide;1-chloro-3-methylbenzene-4-ide
SMILESCc1[c-]ccc(Cl)c1.[CH3-].[K+]
InChIInChI=1S/C7H6Cl.CH3.K/c1-6-3-2-4-7(8)5-6;;/h2,4-5H,1H3;1H3;/q2*-1;+1
InChIKeyYWDBBGHAXKOABF-UHFFFAOYSA-N
MW179.71 g/mol
LogP-0.10
Rot. Bonds

About potassium;carbanide;1-chloro-3-methylbenzene-4-ide

potassium;carbanide;1-chloro-3-methylbenzene-4-ide (PubChem CID 177050107) has the molecular formula C8H9ClK- and a molecular weight of 179.71 g/mol. Its IUPAC name is potassium;carbanide;1-chloro-3-methylbenzene-4-ide.

Molecular Properties

Compound Namepotassium;carbanide;1-chloro-3-methylbenzene-4-ide
PubChem CID177050107
Molecular FormulaC8H9ClK-
Molecular Weight179.71 g/mol
Exact Mass179.00
IUPAC Namepotassium;carbanide;1-chloro-3-methylbenzene-4-ide
SMILESCc1[c-]ccc(Cl)c1.[CH3-].[K+]
InChIInChI=1S/C7H6Cl.CH3.K/c1-6-3-2-4-7(8)5-6;;/h2,4-5H,1H3;1H3;/q2*-1;+1
InChIKeyYWDBBGHAXKOABF-UHFFFAOYSA-N
XLogP-0.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.71
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;1-chloro-3-methylbenzene-4-ide?
The IUPAC name of potassium;carbanide;1-chloro-3-methylbenzene-4-ide (CID 177050107) is potassium;carbanide;1-chloro-3-methylbenzene-4-ide.
What is the SMILES notation for potassium;carbanide;1-chloro-3-methylbenzene-4-ide?
The canonical SMILES for potassium;carbanide;1-chloro-3-methylbenzene-4-ide is Cc1[c-]ccc(Cl)c1.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;1-chloro-3-methylbenzene-4-ide?
The InChIKey is YWDBBGHAXKOABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl.CH3.K/c1-6-3-2-4-7(8)5-6;;/h2,4-5H,1H3;1H3;/q2*-1;+1.
What are the key properties of potassium;carbanide;1-chloro-3-methylbenzene-4-ide?
potassium;carbanide;1-chloro-3-methylbenzene-4-ide has a molecular weight of 179.71 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;1-chloro-3-methylbenzene-4-ide is sourced from PubChem (CID 177050107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).