4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde

C13H6Br2ClFO2 — CID 114042688

IUPAC4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1Oc1cc(F)c(Cl)cc1Br
InChIInChI=1S/C13H6Br2ClFO2/c14-8-2-1-7(6-18)12(3-8)19-13-5-11(17)10(16)4-9(13)15/h1-6H
InChIKeyLGXQIHCEYNGZMU-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.61
Rot. Bonds3

About 4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde

4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde (PubChem CID 114042688) has the molecular formula C13H6Br2ClFO2 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde
PubChem CID114042688
Molecular FormulaC13H6Br2ClFO2
Molecular Weight408.45 g/mol
Exact Mass405.84
IUPAC Name4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1Oc1cc(F)c(Cl)cc1Br
InChIInChI=1S/C13H6Br2ClFO2/c14-8-2-1-7(6-18)12(3-8)19-13-5-11(17)10(16)4-9(13)15/h1-6H
InChIKeyLGXQIHCEYNGZMU-UHFFFAOYSA-N
XLogP5.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
CID 43364723
2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
CID 114844928
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
CID 114844783
4-bromo-2-(2,4-dimethylphenoxy)benzaldehyde
CID 43364692
4-bromo-2-(2,5-dimethylphenoxy)benzaldehyde
CID 43364705
4-bromo-2-(fluoromethoxy)benzaldehyde
CID 87676781
4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde
CID 64720224
4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
CID 114844686
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
CID 43364688
[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
CID 114042695

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde?
The IUPAC name of 4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde (CID 114042688) is 4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde?
The canonical SMILES for 4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde is O=Cc1ccc(Br)cc1Oc1cc(F)c(Cl)cc1Br.
What is the InChIKey of 4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde?
The InChIKey is LGXQIHCEYNGZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClFO2/c14-8-2-1-7(6-18)12(3-8)19-13-5-11(17)10(16)4-9(13)15/h1-6H.
What are the key properties of 4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde?
4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde has a molecular weight of 408.45 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde is sourced from PubChem (CID 114042688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).