cerium(3+);ethenylbenzene;dichloride

C8H7CeCl2 — CID 87670269

IUPACcerium(3+);ethenylbenzene;dichloride
SMILES[Ce+3].[Cl-].[Cl-].[H]/[C-]=C\c1ccccc1
InChIInChI=1S/C8H7.Ce.2ClH/c1-2-8-6-4-3-5-7-8;;;/h1-7H;;2*1H/q-1;+3;;/p-2
InChIKeyHRDAPBSNHJCYJY-UHFFFAOYSA-L
MW314.17 g/mol
LogP-3.86
Rot. Bonds1

About cerium(3+);ethenylbenzene;dichloride

cerium(3+);ethenylbenzene;dichloride (PubChem CID 87670269) has the molecular formula C8H7CeCl2 and a molecular weight of 314.17 g/mol. Its IUPAC name is cerium(3+);ethenylbenzene;dichloride.

Molecular Properties

Compound Namecerium(3+);ethenylbenzene;dichloride
PubChem CID87670269
Molecular FormulaC8H7CeCl2
Molecular Weight314.17 g/mol
Exact Mass312.90
IUPAC Namecerium(3+);ethenylbenzene;dichloride
SMILES[Ce+3].[Cl-].[Cl-].[H]/[C-]=C\c1ccccc1
InChIInChI=1S/C8H7.Ce.2ClH/c1-2-8-6-4-3-5-7-8;;;/h1-7H;;2*1H/q-1;+3;;/p-2
InChIKeyHRDAPBSNHJCYJY-UHFFFAOYSA-L
XLogP-3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 5-3.86
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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Related Compounds

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1-ethenyl-3-ethenylbenzene
CID 102253224
CID 148518460
CID 148518460
CID 70567885
CID 70567885
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of cerium(3+);ethenylbenzene;dichloride?
The IUPAC name of cerium(3+);ethenylbenzene;dichloride (CID 87670269) is cerium(3+);ethenylbenzene;dichloride.
What is the SMILES notation for cerium(3+);ethenylbenzene;dichloride?
The canonical SMILES for cerium(3+);ethenylbenzene;dichloride is [Ce+3].[Cl-].[Cl-].[H]/[C-]=C\c1ccccc1.
What is the InChIKey of cerium(3+);ethenylbenzene;dichloride?
The InChIKey is HRDAPBSNHJCYJY-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H7.Ce.2ClH/c1-2-8-6-4-3-5-7-8;;;/h1-7H;;2*1H/q-1;+3;;/p-2.
What are the key properties of cerium(3+);ethenylbenzene;dichloride?
cerium(3+);ethenylbenzene;dichloride has a molecular weight of 314.17 g/mol, XLogP of -3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);ethenylbenzene;dichloride is sourced from PubChem (CID 87670269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).