dibromozinc;propanal

C3H6Br2OZn — CID 174552575

IUPACdibromozinc;propanal
SMILESBr[Zn]Br.CCC=O
InChIInChI=1S/C3H6O.2BrH.Zn/c1-2-3-4;;;/h3H,2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyUUJWMCUXXDOPSQ-UHFFFAOYSA-L
MW283.28 g/mol
LogP2.28
Rot. Bonds1

About dibromozinc;propanal

dibromozinc;propanal (PubChem CID 174552575) has the molecular formula C3H6Br2OZn and a molecular weight of 283.28 g/mol. Its IUPAC name is dibromozinc;propanal.

Molecular Properties

Compound Namedibromozinc;propanal
PubChem CID174552575
Molecular FormulaC3H6Br2OZn
Molecular Weight283.28 g/mol
Exact Mass279.81
IUPAC Namedibromozinc;propanal
SMILESBr[Zn]Br.CCC=O
InChIInChI=1S/C3H6O.2BrH.Zn/c1-2-3-4;;;/h3H,2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyUUJWMCUXXDOPSQ-UHFFFAOYSA-L
XLogP2.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibromozinc;propanal?
The IUPAC name of dibromozinc;propanal (CID 174552575) is dibromozinc;propanal.
What is the SMILES notation for dibromozinc;propanal?
The canonical SMILES for dibromozinc;propanal is Br[Zn]Br.CCC=O.
What is the InChIKey of dibromozinc;propanal?
The InChIKey is UUJWMCUXXDOPSQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6O.2BrH.Zn/c1-2-3-4;;;/h3H,2H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dibromozinc;propanal?
dibromozinc;propanal has a molecular weight of 283.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibromozinc;propanal is sourced from PubChem (CID 174552575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).