2,6-dichlorobenzaldehyde;ethane

C9H10Cl2O — CID 90823593

IUPAC2,6-dichlorobenzaldehyde;ethane
SMILESCC.O=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C7H4Cl2O.C2H6/c8-6-2-1-3-7(9)5(6)4-10;1-2/h1-4H;1-2H3
InChIKeyFVQJOYUCFYKHPZ-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.83
Rot. Bonds1

About 2,6-dichlorobenzaldehyde;ethane

2,6-dichlorobenzaldehyde;ethane (PubChem CID 90823593) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 2,6-dichlorobenzaldehyde;ethane.

Molecular Properties

Compound Name2,6-dichlorobenzaldehyde;ethane
PubChem CID90823593
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name2,6-dichlorobenzaldehyde;ethane
SMILESCC.O=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C7H4Cl2O.C2H6/c8-6-2-1-3-7(9)5(6)4-10;1-2/h1-4H;1-2H3
InChIKeyFVQJOYUCFYKHPZ-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichlorobenzaldehyde;4-methylbenzaldehyde
CID 19356894
2-chloro-6-iodobenzaldehyde
CID 58951891
2-(aminomethyl)-6-chlorobenzaldehyde
CID 174425171
2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide
CID 158457081
2-chloro-6-(3-hydroxybutan-2-ylsulfanyl)benzaldehyde
CID 107772138
3-(3-chloro-2-formylphenyl)prop-2-enoic acid
CID 169460426
2-chloro-6-phenoxybenzaldehyde
CID 18663602
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde
CID 167734827
N-(3-chloro-2-formylphenyl)propanamide
CID 159798849
2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde
CID 134622694
2-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]benzaldehyde
CID 55010814

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzaldehyde;ethane?
The IUPAC name of 2,6-dichlorobenzaldehyde;ethane (CID 90823593) is 2,6-dichlorobenzaldehyde;ethane.
What is the SMILES notation for 2,6-dichlorobenzaldehyde;ethane?
The canonical SMILES for 2,6-dichlorobenzaldehyde;ethane is CC.O=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichlorobenzaldehyde;ethane?
The InChIKey is FVQJOYUCFYKHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O.C2H6/c8-6-2-1-3-7(9)5(6)4-10;1-2/h1-4H;1-2H3.
What are the key properties of 2,6-dichlorobenzaldehyde;ethane?
2,6-dichlorobenzaldehyde;ethane has a molecular weight of 205.08 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzaldehyde;ethane is sourced from PubChem (CID 90823593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).