2-(3-bromo-4-chlorophenyl)acetaldehyde

C8H6BrClO — CID 83240739

IUPAC2-(3-bromo-4-chlorophenyl)acetaldehyde
SMILESO=CCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H6BrClO/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,4-5H,3H2
InChIKeyIWXNJESGQRSDHB-UHFFFAOYSA-N
MW233.49 g/mol
LogP2.84
Rot. Bonds2

About 2-(3-bromo-4-chlorophenyl)acetaldehyde

2-(3-bromo-4-chlorophenyl)acetaldehyde (PubChem CID 83240739) has the molecular formula C8H6BrClO and a molecular weight of 233.49 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)acetaldehyde
PubChem CID83240739
Molecular FormulaC8H6BrClO
Molecular Weight233.49 g/mol
Exact Mass231.93
IUPAC Name2-(3-bromo-4-chlorophenyl)acetaldehyde
SMILESO=CCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H6BrClO/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,4-5H,3H2
InChIKeyIWXNJESGQRSDHB-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-4-chlorophenyl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methylphenyl)acetaldehyde
CID 54038789
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
2-(3-bromo-4-methylsulfanylphenyl)acetaldehyde
CID 87425969
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
2-bromo-4-butyl-1-chlorobenzene
CID 50997862
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylbut-2-en-1-amine
CID 106180583
(3-bromo-4-chlorophenyl)methyl methanesulfonate
CID 86671601
2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
CID 146451496
2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol
CID 115903791
(2S)-3-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid
CID 146013512
N-[(3-bromo-4-chlorophenyl)methyl]but-2-yn-1-amine
CID 115908797
4-[(3-bromo-4-chlorophenyl)methylamino]butanoic acid
CID 83230166

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)acetaldehyde?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)acetaldehyde (CID 83240739) is 2-(3-bromo-4-chlorophenyl)acetaldehyde.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)acetaldehyde?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)acetaldehyde is O=CCc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)acetaldehyde?
The InChIKey is IWXNJESGQRSDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,4-5H,3H2.
What are the key properties of 2-(3-bromo-4-chlorophenyl)acetaldehyde?
2-(3-bromo-4-chlorophenyl)acetaldehyde has a molecular weight of 233.49 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)acetaldehyde is sourced from PubChem (CID 83240739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).