silver 1-chloro-2-ethynylbenzene

C8H4AgCl — CID 86046672

IUPACsilver 1-chloro-2-ethynylbenzene
SMILES[Ag+].[C-]#Cc1ccccc1Cl
InChIInChI=1S/C8H4Cl.Ag/c1-2-7-5-3-4-6-8(7)9;/h3-6H;/q-1;+1
InChIKeySBYAWEDBHBAKFU-UHFFFAOYSA-N
MW243.44 g/mol
LogP2.28
Rot. Bonds

About silver 1-chloro-2-ethynylbenzene

silver 1-chloro-2-ethynylbenzene (PubChem CID 86046672) has the molecular formula C8H4AgCl and a molecular weight of 243.44 g/mol. Its IUPAC name is silver 1-chloro-2-ethynylbenzene.

Molecular Properties

Compound Namesilver 1-chloro-2-ethynylbenzene
PubChem CID86046672
Molecular FormulaC8H4AgCl
Molecular Weight243.44 g/mol
Exact Mass241.91
IUPAC Namesilver 1-chloro-2-ethynylbenzene
SMILES[Ag+].[C-]#Cc1ccccc1Cl
InChIInChI=1S/C8H4Cl.Ag/c1-2-7-5-3-4-6-8(7)9;/h3-6H;/q-1;+1
InChIKeySBYAWEDBHBAKFU-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of silver 1-chloro-2-ethynylbenzene?
The IUPAC name of silver 1-chloro-2-ethynylbenzene (CID 86046672) is silver 1-chloro-2-ethynylbenzene.
What is the SMILES notation for silver 1-chloro-2-ethynylbenzene?
The canonical SMILES for silver 1-chloro-2-ethynylbenzene is [Ag+].[C-]#Cc1ccccc1Cl.
What is the InChIKey of silver 1-chloro-2-ethynylbenzene?
The InChIKey is SBYAWEDBHBAKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl.Ag/c1-2-7-5-3-4-6-8(7)9;/h3-6H;/q-1;+1.
What are the key properties of silver 1-chloro-2-ethynylbenzene?
silver 1-chloro-2-ethynylbenzene has a molecular weight of 243.44 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for silver 1-chloro-2-ethynylbenzene is sourced from PubChem (CID 86046672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).