mercury(1+);1-phenylethenylbenzene;chloride

C14H12ClHg — CID 171374959

IUPACmercury(1+);1-phenylethenylbenzene;chloride
SMILESC=C(c1ccccc1)c1ccccc1.[Cl-].[Hg+]
InChIInChI=1S/C14H12.ClH.Hg/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;;/h2-11H,1H2;1H;/q;;+1/p-1
InChIKeyBAFAOABLXIPLLB-UHFFFAOYSA-M
MW416.29 g/mol
LogP0.75
Rot. Bonds2

About mercury(1+);1-phenylethenylbenzene;chloride

mercury(1+);1-phenylethenylbenzene;chloride (PubChem CID 171374959) has the molecular formula C14H12ClHg and a molecular weight of 416.29 g/mol. Its IUPAC name is mercury(1+);1-phenylethenylbenzene;chloride.

Molecular Properties

Compound Namemercury(1+);1-phenylethenylbenzene;chloride
PubChem CID171374959
Molecular FormulaC14H12ClHg
Molecular Weight416.29 g/mol
Exact Mass417.03
IUPAC Namemercury(1+);1-phenylethenylbenzene;chloride
SMILESC=C(c1ccccc1)c1ccccc1.[Cl-].[Hg+]
InChIInChI=1S/C14H12.ClH.Hg/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;;/h2-11H,1H2;1H;/q;;+1/p-1
InChIKeyBAFAOABLXIPLLB-UHFFFAOYSA-M
XLogP0.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
phenol;1-phenylethenylbenzene
CID 174309625
1-phenylethenylbenzene;triazine
CID 122635968
ethoxyethane;1-phenylethenylbenzene
CID 69353422
oxadiazole;1-phenylethenylbenzene
CID 174510453
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
1-(chloromethyl)-4-(1-phenylethenyl)benzene
CID 68708989
chloro-[4-(1-phenylethenyl)phenyl]phosphane
CID 167036025
4-(1-phenylethenyl)benzonitrile
CID 11977035
1-pentoxypentane;1-phenylethenylbenzene
CID 174459575
1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine
CID 67437631

Frequently Asked Questions

What is the IUPAC name of mercury(1+);1-phenylethenylbenzene;chloride?
The IUPAC name of mercury(1+);1-phenylethenylbenzene;chloride (CID 171374959) is mercury(1+);1-phenylethenylbenzene;chloride.
What is the SMILES notation for mercury(1+);1-phenylethenylbenzene;chloride?
The canonical SMILES for mercury(1+);1-phenylethenylbenzene;chloride is C=C(c1ccccc1)c1ccccc1.[Cl-].[Hg+].
What is the InChIKey of mercury(1+);1-phenylethenylbenzene;chloride?
The InChIKey is BAFAOABLXIPLLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12.ClH.Hg/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;;/h2-11H,1H2;1H;/q;;+1/p-1.
What are the key properties of mercury(1+);1-phenylethenylbenzene;chloride?
mercury(1+);1-phenylethenylbenzene;chloride has a molecular weight of 416.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(1+);1-phenylethenylbenzene;chloride is sourced from PubChem (CID 171374959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).