2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde

C13H7BrClFO2 — CID 81331815

IUPAC2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H7BrClFO2/c14-8-4-9(16)6-10(5-8)18-13-3-1-2-12(15)11(13)7-17/h1-7H
InChIKeyJBUKYVBPPXUJDL-UHFFFAOYSA-N
MW329.55 g/mol
LogP4.85
Rot. Bonds3

About 2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde

2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde (PubChem CID 81331815) has the molecular formula C13H7BrClFO2 and a molecular weight of 329.55 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde
PubChem CID81331815
Molecular FormulaC13H7BrClFO2
Molecular Weight329.55 g/mol
Exact Mass327.93
IUPAC Name2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H7BrClFO2/c14-8-4-9(16)6-10(5-8)18-13-3-1-2-12(15)11(13)7-17/h1-7H
InChIKeyJBUKYVBPPXUJDL-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.55
LogP ≤ 54.85
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-bromophenoxy)-6-chlorobenzaldehyde
CID 28552833
2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde
CID 83233968
2-chloro-6-phenoxybenzaldehyde
CID 18663602
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzenecarbothioamide
CID 81332264
3-[2-chloro-6-(3,5-difluorophenoxy)phenyl]prop-2-enoic acid
CID 76999902
2-(3-bromo-5-fluorophenoxy)-6-fluorobenzoic acid
CID 81326096
1-(3-bromo-5-fluorophenoxy)-3-fluoro-2-nitrobenzene
CID 81331353
2-chloro-6-(3-methylsulfonylphenoxy)benzaldehyde
CID 43807103
2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde
CID 65431300
3-(2-bromophenoxy)-5-fluorobenzaldehyde
CID 106529469
2-(3-bromo-5-fluorophenoxy)benzamide
CID 81331712
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
CID 15612007

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde (CID 81331815) is 2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde is O=Cc1c(Cl)cccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde?
The InChIKey is JBUKYVBPPXUJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFO2/c14-8-4-9(16)6-10(5-8)18-13-3-1-2-12(15)11(13)7-17/h1-7H.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde?
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde has a molecular weight of 329.55 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde is sourced from PubChem (CID 81331815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).