2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde

C13H7BrClFO2 — CID 83233968

IUPAC2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H7BrClFO2/c14-10-6-8(4-5-12(10)16)18-13-3-1-2-11(15)9(13)7-17/h1-7H
InChIKeySQANUAMNPRGQOB-UHFFFAOYSA-N
MW329.55 g/mol
LogP4.85
Rot. Bonds3

About 2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde

2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde (PubChem CID 83233968) has the molecular formula C13H7BrClFO2 and a molecular weight of 329.55 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde
PubChem CID83233968
Molecular FormulaC13H7BrClFO2
Molecular Weight329.55 g/mol
Exact Mass327.93
IUPAC Name2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H7BrClFO2/c14-10-6-8(4-5-12(10)16)18-13-3-1-2-11(15)9(13)7-17/h1-7H
InChIKeySQANUAMNPRGQOB-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-5-fluorophenoxy)-6-chlorobenzaldehyde
CID 81331815
2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde
CID 114065202
2-chloro-6-phenoxybenzaldehyde
CID 18663602
2-chloro-6-(3-methylsulfonylphenoxy)benzaldehyde
CID 43807103
1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine
CID 83232907
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949
1-[2-(3-bromo-4-fluorophenoxy)-6-fluorophenyl]ethanone
CID 83235123
1-(3-bromo-4-fluorophenoxy)-4,5-dichloro-2-nitrobenzene
CID 83234613
4-(3-bromo-4-fluorophenoxy)-3-chlorobenzoic acid
CID 83234294
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
CID 15612007
2-bromo-6-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114888683

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde (CID 83233968) is 2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde is O=Cc1c(Cl)cccc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde?
The InChIKey is SQANUAMNPRGQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFO2/c14-10-6-8(4-5-12(10)16)18-13-3-1-2-11(15)9(13)7-17/h1-7H.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde?
2-(3-bromo-4-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-4-fluorophenoxy)-6-chlorobenzaldehyde is sourced from PubChem (CID 83233968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).