benzene;tin(4+);bromide;chloride

C18H15BrClSn- — CID 76962974

IUPACbenzene;tin(4+);bromide;chloride
SMILES[Br-].[Cl-].[Sn+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.BrH.ClH.Sn/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H;/q3*-1;;;+4/p-2
InChIKeyLOBJWPKOXZDNJU-UHFFFAOYSA-L
MW465.39 g/mol
LogP-1.91
Rot. Bonds

About benzene;tin(4+);bromide;chloride

benzene;tin(4+);bromide;chloride (PubChem CID 76962974) has the molecular formula C18H15BrClSn- and a molecular weight of 465.39 g/mol. Its IUPAC name is benzene;tin(4+);bromide;chloride.

Molecular Properties

Compound Namebenzene;tin(4+);bromide;chloride
PubChem CID76962974
Molecular FormulaC18H15BrClSn-
Molecular Weight465.39 g/mol
Exact Mass464.91
IUPAC Namebenzene;tin(4+);bromide;chloride
SMILES[Br-].[Cl-].[Sn+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.BrH.ClH.Sn/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H;/q3*-1;;;+4/p-2
InChIKeyLOBJWPKOXZDNJU-UHFFFAOYSA-L
XLogP-1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 5-1.91
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 benzene;tin(4+);bromide;chloride?
The IUPAC name of benzene;tin(4+);bromide;chloride (CID 76962974) is benzene;tin(4+);bromide;chloride.
What is the SMILES notation for benzene;tin(4+);bromide;chloride?
The canonical SMILES for benzene;tin(4+);bromide;chloride is [Br-].[Cl-].[Sn+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;tin(4+);bromide;chloride?
The InChIKey is LOBJWPKOXZDNJU-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H5.BrH.ClH.Sn/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H;/q3*-1;;;+4/p-2.
What are the key properties of benzene;tin(4+);bromide;chloride?
benzene;tin(4+);bromide;chloride has a molecular weight of 465.39 g/mol, XLogP of -1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tin(4+);bromide;chloride is sourced from PubChem (CID 76962974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).