4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde

C13H7Br2ClO2 — CID 43364723

IUPAC4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H7Br2ClO2/c14-9-3-4-12(11(16)5-9)18-13-6-10(15)2-1-8(13)7-17/h1-7H
InChIKeyMJASGOLSAXISLU-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.47
Rot. Bonds3

About 4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde

4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde (PubChem CID 43364723) has the molecular formula C13H7Br2ClO2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
PubChem CID43364723
Molecular FormulaC13H7Br2ClO2
Molecular Weight390.46 g/mol
Exact Mass387.85
IUPAC Name4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H7Br2ClO2/c14-9-3-4-12(11(16)5-9)18-13-6-10(15)2-1-8(13)7-17/h1-7H
InChIKeyMJASGOLSAXISLU-UHFFFAOYSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.47
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

2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
CID 114844783
2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
CID 114844928
4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde
CID 114042688
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
4-bromo-2-(2,4-dimethylphenoxy)benzaldehyde
CID 43364692
4-bromo-2-(2,5-dimethylphenoxy)benzaldehyde
CID 43364705
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine
CID 155316701
4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
CID 114844686
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
CID 43364688
2-(5-bromo-2-formylphenoxy)benzamide
CID 43364679
6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde
CID 80631140

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde?
The IUPAC name of 4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde (CID 43364723) is 4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde?
The canonical SMILES for 4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde is O=Cc1ccc(Br)cc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde?
The InChIKey is MJASGOLSAXISLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClO2/c14-9-3-4-12(11(16)5-9)18-13-6-10(15)2-1-8(13)7-17/h1-7H.
What are the key properties of 4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde?
4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde has a molecular weight of 390.46 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde is sourced from PubChem (CID 43364723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).