4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde

C13H6BrClF2O2 — CID 63050225

IUPAC4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(Oc2ccc(Cl)cc2Br)c(F)c1
InChIInChI=1S/C13H6BrClF2O2/c14-9-5-8(15)1-2-12(9)19-13-10(16)3-7(6-18)4-11(13)17/h1-6H
InChIKeyASBFWCJAUDBNHV-UHFFFAOYSA-N
MW347.54 g/mol
LogP4.99
Rot. Bonds3

About 4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde

4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde (PubChem CID 63050225) has the molecular formula C13H6BrClF2O2 and a molecular weight of 347.54 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde
PubChem CID63050225
Molecular FormulaC13H6BrClF2O2
Molecular Weight347.54 g/mol
Exact Mass345.92
IUPAC Name4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(Oc2ccc(Cl)cc2Br)c(F)c1
InChIInChI=1S/C13H6BrClF2O2/c14-9-5-8(15)1-2-12(9)19-13-10(16)3-7(6-18)4-11(13)17/h1-6H
InChIKeyASBFWCJAUDBNHV-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 54.99
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

4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde
CID 64720224
4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzenecarbothioamide
CID 81285921
N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552010
4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde
CID 29272244
4-(4-bromophenoxy)-3,5-difluorobenzaldehyde
CID 55146396
4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
CID 114673909
2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline
CID 60789446
4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638
2-bromo-4-(2-bromo-4-chlorophenoxy)-3-fluorobenzoic acid
CID 107540645
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
2-bromo-4-chloro-1-methoxybenzene
CID 140982994

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde?
The IUPAC name of 4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde (CID 63050225) is 4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde is O=Cc1cc(F)c(Oc2ccc(Cl)cc2Br)c(F)c1.
What is the InChIKey of 4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde?
The InChIKey is ASBFWCJAUDBNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2O2/c14-9-5-8(15)1-2-12(9)19-13-10(16)3-7(6-18)4-11(13)17/h1-6H.
What are the key properties of 4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde?
4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde has a molecular weight of 347.54 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde is sourced from PubChem (CID 63050225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).