4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde

C13H6BrCl2FO — CID 106763198

IUPAC4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)c(Cl)c2F)cc1Cl
InChIInChI=1S/C13H6BrCl2FO/c14-10-4-3-9(13(17)12(10)16)7-1-2-8(6-18)11(15)5-7/h1-6H
InChIKeyXIRBRAGDPSGQJM-UHFFFAOYSA-N
MW348.00 g/mol
LogP5.37
Rot. Bonds2

About 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde

4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde (PubChem CID 106763198) has the molecular formula C13H6BrCl2FO and a molecular weight of 348.00 g/mol. Its IUPAC name is 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde.

Molecular Properties

Compound Name4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde
PubChem CID106763198
Molecular FormulaC13H6BrCl2FO
Molecular Weight348.00 g/mol
Exact Mass345.90
IUPAC Name4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)c(Cl)c2F)cc1Cl
InChIInChI=1S/C13H6BrCl2FO/c14-10-4-3-9(13(17)12(10)16)7-1-2-8(6-18)11(15)5-7/h1-6H
InChIKeyXIRBRAGDPSGQJM-UHFFFAOYSA-N
XLogP5.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.00
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde
CID 58978553
2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde
CID 58978552
1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 106763208
4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde
CID 107476828
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
CID 107289689
2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde
CID 102834329
2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde
CID 175663828
2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090274
2-chloro-3-fluoroterephthalaldehyde
CID 87294341
methyl 3-(4-bromo-3-chloro-2-fluorophenyl)-5-fluorobenzoate
CID 106763136
1-[3-(4-bromo-3-chloro-2-fluorophenyl)phenyl]propan-1-amine
CID 106763293
4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde
CID 156559624

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde?
The IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde (CID 106763198) is 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde.
What is the SMILES notation for 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde?
The canonical SMILES for 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde is O=Cc1ccc(-c2ccc(Br)c(Cl)c2F)cc1Cl.
What is the InChIKey of 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde?
The InChIKey is XIRBRAGDPSGQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2FO/c14-10-4-3-9(13(17)12(10)16)7-1-2-8(6-18)11(15)5-7/h1-6H.
What are the key properties of 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde?
4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde has a molecular weight of 348.00 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde is sourced from PubChem (CID 106763198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).