benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+)

C14H11BrOW — CID 174145295

IUPACbenzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+)
SMILESCC(=O)c1cc[c-]c(Br)c1.[W+2].[c-]1ccccc1
InChIInChI=1S/C8H6BrO.C6H5.W/c1-6(10)7-3-2-4-8(9)5-7;1-2-4-6-5-3-1;/h2-3,5H,1H3;1-5H;/q2*-1;+2
InChIKeyJLVSWXYYZMYIRT-UHFFFAOYSA-N
MW458.99 g/mol
LogP3.94
Rot. Bonds1

About benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+)

benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+) (PubChem CID 174145295) has the molecular formula C14H11BrOW and a molecular weight of 458.99 g/mol. Its IUPAC name is benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+).

Molecular Properties

Compound Namebenzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+)
PubChem CID174145295
Molecular FormulaC14H11BrOW
Molecular Weight458.99 g/mol
Exact Mass457.95
IUPAC Namebenzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+)
SMILESCC(=O)c1cc[c-]c(Br)c1.[W+2].[c-]1ccccc1
InChIInChI=1S/C8H6BrO.C6H5.W/c1-6(10)7-3-2-4-8(9)5-7;1-2-4-6-5-3-1;/h2-3,5H,1H3;1-5H;/q2*-1;+2
InChIKeyJLVSWXYYZMYIRT-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 58914497
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CID 163653945
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CID 174710467
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CID 21258111
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CID 90871438
iron;1-phenylethanone
CID 70488357
lithium 1-phenylethanone
CID 22269591
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
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CID 170873639

Frequently Asked Questions

What is the IUPAC name of benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+)?
The IUPAC name of benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+) (CID 174145295) is benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+).
What is the SMILES notation for benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+)?
The canonical SMILES for benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+) is CC(=O)c1cc[c-]c(Br)c1.[W+2].[c-]1ccccc1.
What is the InChIKey of benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+)?
The InChIKey is JLVSWXYYZMYIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrO.C6H5.W/c1-6(10)7-3-2-4-8(9)5-7;1-2-4-6-5-3-1;/h2-3,5H,1H3;1-5H;/q2*-1;+2.
What are the key properties of benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+)?
benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+) has a molecular weight of 458.99 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+) is sourced from PubChem (CID 174145295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).