zinc;bromobenzene;butane

C10H13BrZn — CID 139245942

IUPACzinc;bromobenzene;butane
SMILESBrc1cc[c-]cc1.[CH2-]CCC.[Zn+2]
InChIInChI=1S/C6H4Br.C4H9.Zn/c7-6-4-2-1-3-5-6;1-3-4-2;/h2-5H;1,3-4H2,2H3;/q2*-1;+2
InChIKeyYYXTYSWFMAUXHV-UHFFFAOYSA-N
MW278.51 g/mol
LogP3.87
Rot. Bonds1

About zinc;bromobenzene;butane

zinc;bromobenzene;butane (PubChem CID 139245942) has the molecular formula C10H13BrZn and a molecular weight of 278.51 g/mol. Its IUPAC name is zinc;bromobenzene;butane.

Molecular Properties

Compound Namezinc;bromobenzene;butane
PubChem CID139245942
Molecular FormulaC10H13BrZn
Molecular Weight278.51 g/mol
Exact Mass275.95
IUPAC Namezinc;bromobenzene;butane
SMILESBrc1cc[c-]cc1.[CH2-]CCC.[Zn+2]
InChIInChI=1S/C6H4Br.C4H9.Zn/c7-6-4-2-1-3-5-6;1-3-4-2;/h2-5H;1,3-4H2,2H3;/q2*-1;+2
InChIKeyYYXTYSWFMAUXHV-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;bromobenzene;butane?
The IUPAC name of zinc;bromobenzene;butane (CID 139245942) is zinc;bromobenzene;butane.
What is the SMILES notation for zinc;bromobenzene;butane?
The canonical SMILES for zinc;bromobenzene;butane is Brc1cc[c-]cc1.[CH2-]CCC.[Zn+2].
What is the InChIKey of zinc;bromobenzene;butane?
The InChIKey is YYXTYSWFMAUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br.C4H9.Zn/c7-6-4-2-1-3-5-6;1-3-4-2;/h2-5H;1,3-4H2,2H3;/q2*-1;+2.
What are the key properties of zinc;bromobenzene;butane?
zinc;bromobenzene;butane has a molecular weight of 278.51 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bromobenzene;butane is sourced from PubChem (CID 139245942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).