1-chloroethenylbenzene;tungsten

C8H6ClW- — CID 58914529

IUPAC1-chloroethenylbenzene;tungsten
SMILESC=C(Cl)c1cc[c-]cc1.[W]
InChIInChI=1S/C8H6Cl.W/c1-7(9)8-5-3-2-4-6-8;/h3-6H,1H2;/q-1;
InChIKeyZJYJJHQPNYNWSF-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.69
Rot. Bonds1

About 1-chloroethenylbenzene;tungsten

1-chloroethenylbenzene;tungsten (PubChem CID 58914529) has the molecular formula C8H6ClW- and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-chloroethenylbenzene;tungsten.

Molecular Properties

Compound Name1-chloroethenylbenzene;tungsten
PubChem CID58914529
Molecular FormulaC8H6ClW-
Molecular Weight321.43 g/mol
Exact Mass320.97
IUPAC Name1-chloroethenylbenzene;tungsten
SMILESC=C(Cl)c1cc[c-]cc1.[W]
InChIInChI=1S/C8H6Cl.W/c1-7(9)8-5-3-2-4-6-8;/h3-6H,1H2;/q-1;
InChIKeyZJYJJHQPNYNWSF-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.69
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 1-chloroethenylbenzene;tungsten?
The IUPAC name of 1-chloroethenylbenzene;tungsten (CID 58914529) is 1-chloroethenylbenzene;tungsten.
What is the SMILES notation for 1-chloroethenylbenzene;tungsten?
The canonical SMILES for 1-chloroethenylbenzene;tungsten is C=C(Cl)c1cc[c-]cc1.[W].
What is the InChIKey of 1-chloroethenylbenzene;tungsten?
The InChIKey is ZJYJJHQPNYNWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl.W/c1-7(9)8-5-3-2-4-6-8;/h3-6H,1H2;/q-1;.
What are the key properties of 1-chloroethenylbenzene;tungsten?
1-chloroethenylbenzene;tungsten has a molecular weight of 321.43 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethenylbenzene;tungsten is sourced from PubChem (CID 58914529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).