2-(2-bromo-5-chlorophenyl)acetaldehyde

C8H6BrClO — CID 66159966

IUPAC2-(2-bromo-5-chlorophenyl)acetaldehyde
SMILESO=CCc1cc(Cl)ccc1Br
InChIInChI=1S/C8H6BrClO/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,4-5H,3H2
InChIKeyATUMEGVYSYFWDU-UHFFFAOYSA-N
MW233.49 g/mol
LogP2.84
Rot. Bonds2

About 2-(2-bromo-5-chlorophenyl)acetaldehyde

2-(2-bromo-5-chlorophenyl)acetaldehyde (PubChem CID 66159966) has the molecular formula C8H6BrClO and a molecular weight of 233.49 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)acetaldehyde
PubChem CID66159966
Molecular FormulaC8H6BrClO
Molecular Weight233.49 g/mol
Exact Mass231.93
IUPAC Name2-(2-bromo-5-chlorophenyl)acetaldehyde
SMILESO=CCc1cc(Cl)ccc1Br
InChIInChI=1S/C8H6BrClO/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,4-5H,3H2
InChIKeyATUMEGVYSYFWDU-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'}

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Related Compounds

2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
2-(2-amino-4-chlorophenyl)acetaldehyde
CID 87129897
1-bromo-2,4-dichlorobenzene;propanal
CID 174560641
3-(2-bromo-4-chlorophenyl)propanal
CID 117372251
4-(2-bromo-5-chlorophenyl)but-3-enal
CID 170482888
O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine
CID 117345694
1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene
CID 160827893
1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789
1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene
CID 134102081
2-(3-bromo-4-chlorophenyl)acetaldehyde
CID 83240739
2-(5-bromo-2,4-difluorophenyl)acetaldehyde
CID 87241512

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)acetaldehyde?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)acetaldehyde (CID 66159966) is 2-(2-bromo-5-chlorophenyl)acetaldehyde.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)acetaldehyde?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)acetaldehyde is O=CCc1cc(Cl)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)acetaldehyde?
The InChIKey is ATUMEGVYSYFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,4-5H,3H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)acetaldehyde?
2-(2-bromo-5-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-(2-bromo-5-chlorophenyl)acetaldehyde is sourced from PubChem (CID 66159966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).