alumane;2-chloroethenylbenzene;iron;sulfuric acid

C8H12AlClFeO4S — CID 174622645

IUPACalumane;2-chloroethenylbenzene;iron;sulfuric acid
SMILESClC=Cc1ccccc1.O=S(=O)(O)O.[AlH3].[Fe]
InChIInChI=1S/C8H7Cl.Al.Fe.H2O4S.3H/c9-7-6-8-4-2-1-3-5-8;;;1-5(2,3)4;;;/h1-7H;;;(H2,1,2,3,4);;;
InChIKeyZJZHPSIIYSDTPC-UHFFFAOYSA-N
MW322.53 g/mol
LogP1.06
Rot. Bonds1

About alumane;2-chloroethenylbenzene;iron;sulfuric acid

alumane;2-chloroethenylbenzene;iron;sulfuric acid (PubChem CID 174622645) has the molecular formula C8H12AlClFeO4S and a molecular weight of 322.53 g/mol. Its IUPAC name is alumane;2-chloroethenylbenzene;iron;sulfuric acid.

Molecular Properties

Compound Namealumane;2-chloroethenylbenzene;iron;sulfuric acid
PubChem CID174622645
Molecular FormulaC8H12AlClFeO4S
Molecular Weight322.53 g/mol
Exact Mass321.93
IUPAC Namealumane;2-chloroethenylbenzene;iron;sulfuric acid
SMILESClC=Cc1ccccc1.O=S(=O)(O)O.[AlH3].[Fe]
InChIInChI=1S/C8H7Cl.Al.Fe.H2O4S.3H/c9-7-6-8-4-2-1-3-5-8;;;1-5(2,3)4;;;/h1-7H;;;(H2,1,2,3,4);;;
InChIKeyZJZHPSIIYSDTPC-UHFFFAOYSA-N
XLogP1.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.53
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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alumane;2-chloroethenylbenzene;hydrate
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2-chloroethenylbenzene;2-methylprop-1-ene
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2-chloroethenylbenzene;methylsulfonylmethane;1,1,2,3,3-pentamethylguanidine
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CID 161089433
CID 161089433
1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenoxy]benzene;sulfuric acid
CID 172784219
hydride;2-phenylethenesulfonic acid;rubidium(1+)
CID 173085855
CID 159387083
CID 159387083
1-chloro-2-ethenylbenzene;2-chloroethenylbenzene
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Frequently Asked Questions

What is the IUPAC name of alumane;2-chloroethenylbenzene;iron;sulfuric acid?
The IUPAC name of alumane;2-chloroethenylbenzene;iron;sulfuric acid (CID 174622645) is alumane;2-chloroethenylbenzene;iron;sulfuric acid.
What is the SMILES notation for alumane;2-chloroethenylbenzene;iron;sulfuric acid?
The canonical SMILES for alumane;2-chloroethenylbenzene;iron;sulfuric acid is ClC=Cc1ccccc1.O=S(=O)(O)O.[AlH3].[Fe].
What is the InChIKey of alumane;2-chloroethenylbenzene;iron;sulfuric acid?
The InChIKey is ZJZHPSIIYSDTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl.Al.Fe.H2O4S.3H/c9-7-6-8-4-2-1-3-5-8;;;1-5(2,3)4;;;/h1-7H;;;(H2,1,2,3,4);;;.
What are the key properties of alumane;2-chloroethenylbenzene;iron;sulfuric acid?
alumane;2-chloroethenylbenzene;iron;sulfuric acid has a molecular weight of 322.53 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-chloroethenylbenzene;iron;sulfuric acid is sourced from PubChem (CID 174622645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).