3-bromo-5-chloro-2-ethoxybenzaldehyde

C9H8BrClO2 — CID 22134786

IUPAC3-bromo-5-chloro-2-ethoxybenzaldehyde
SMILESCCOc1c(Br)cc(Cl)cc1C=O
InChIInChI=1S/C9H8BrClO2/c1-2-13-9-6(5-12)3-7(11)4-8(9)10/h3-5H,2H2,1H3
InChIKeyAKARKJWLCNMBLJ-UHFFFAOYSA-N
MW263.52 g/mol
LogP3.31
Rot. Bonds3

About 3-bromo-5-chloro-2-ethoxybenzaldehyde

3-bromo-5-chloro-2-ethoxybenzaldehyde (PubChem CID 22134786) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-ethoxybenzaldehyde.

Molecular Properties

Compound Name3-bromo-5-chloro-2-ethoxybenzaldehyde
PubChem CID22134786
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name3-bromo-5-chloro-2-ethoxybenzaldehyde
SMILESCCOc1c(Br)cc(Cl)cc1C=O
InChIInChI=1S/C9H8BrClO2/c1-2-13-9-6(5-12)3-7(11)4-8(9)10/h3-5H,2H2,1H3
InChIKeyAKARKJWLCNMBLJ-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-2-[2-(diethylamino)ethoxy]benzaldehyde
CID 22687475
3-bromo-5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzaldehyde
CID 20990408
3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde
CID 20985669
5-bromo-2,3-diethoxybenzaldehyde
CID 100582069
3,5-dibromo-2-propoxybenzaldehyde
CID 2167921
3-bromo-5-chloro-2-ethoxybenzonitrile
CID 20988293
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
5-bromo-2-ethoxy-3-methoxybenzaldehyde
CID 20994235
5-tert-butyl-3-chloro-2-ethoxybenzaldehyde
CID 99122041
5-chloro-2-ethoxypyridine-3-carbaldehyde
CID 86084027
N-(3-bromo-5-chloro-2-ethoxyphenyl)but-2-enamide
CID 112725225
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-enal
CID 79331302

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-ethoxybenzaldehyde?
The IUPAC name of 3-bromo-5-chloro-2-ethoxybenzaldehyde (CID 22134786) is 3-bromo-5-chloro-2-ethoxybenzaldehyde.
What is the SMILES notation for 3-bromo-5-chloro-2-ethoxybenzaldehyde?
The canonical SMILES for 3-bromo-5-chloro-2-ethoxybenzaldehyde is CCOc1c(Br)cc(Cl)cc1C=O.
What is the InChIKey of 3-bromo-5-chloro-2-ethoxybenzaldehyde?
The InChIKey is AKARKJWLCNMBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c1-2-13-9-6(5-12)3-7(11)4-8(9)10/h3-5H,2H2,1H3.
What are the key properties of 3-bromo-5-chloro-2-ethoxybenzaldehyde?
3-bromo-5-chloro-2-ethoxybenzaldehyde has a molecular weight of 263.52 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-ethoxybenzaldehyde is sourced from PubChem (CID 22134786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).