3,5-dibromobenzaldehyde;ethane

C9H10Br2O — CID 145297632

IUPAC3,5-dibromobenzaldehyde;ethane
SMILESCC.O=Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C7H4Br2O.C2H6/c8-6-1-5(4-10)2-7(9)3-6;1-2/h1-4H;1-2H3
InChIKeyCCPMIEXYPBHIJF-UHFFFAOYSA-N
MW293.99 g/mol
LogP4.05
Rot. Bonds1

About 3,5-dibromobenzaldehyde;ethane

3,5-dibromobenzaldehyde;ethane (PubChem CID 145297632) has the molecular formula C9H10Br2O and a molecular weight of 293.99 g/mol. Its IUPAC name is 3,5-dibromobenzaldehyde;ethane.

Molecular Properties

Compound Name3,5-dibromobenzaldehyde;ethane
PubChem CID145297632
Molecular FormulaC9H10Br2O
Molecular Weight293.99 g/mol
Exact Mass291.91
IUPAC Name3,5-dibromobenzaldehyde;ethane
SMILESCC.O=Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C7H4Br2O.C2H6/c8-6-1-5(4-10)2-7(9)3-6;1-2/h1-4H;1-2H3
InChIKeyCCPMIEXYPBHIJF-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromobenzaldehyde;ethane?
The IUPAC name of 3,5-dibromobenzaldehyde;ethane (CID 145297632) is 3,5-dibromobenzaldehyde;ethane.
What is the SMILES notation for 3,5-dibromobenzaldehyde;ethane?
The canonical SMILES for 3,5-dibromobenzaldehyde;ethane is CC.O=Cc1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromobenzaldehyde;ethane?
The InChIKey is CCPMIEXYPBHIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2O.C2H6/c8-6-1-5(4-10)2-7(9)3-6;1-2/h1-4H;1-2H3.
What are the key properties of 3,5-dibromobenzaldehyde;ethane?
3,5-dibromobenzaldehyde;ethane has a molecular weight of 293.99 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromobenzaldehyde;ethane is sourced from PubChem (CID 145297632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).